N-[(4-dimethylaminophenyl)methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide , CAS No.405097-49-6

CAS: 405097-49-6 Cat. No.: N668910 Molecular Weight: 456.6
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Synonyms
W54011 | GTPL581 | DVYASSBBADJRAS-UHFFFAOYSA-N | EX-A7606 | BDBM50462086 | NCGC00387773-01 | N-[(4-dimethylaminophenyl)methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide | Q27089210 | 405097-49-6 | N-[(4-dimethylaminophe
Storage
Room temperature
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Size
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Price
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1mg
N668910-1mg
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$999.90
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5mg
N668910-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
W54011 | GTPL581 | DVYASSBBADJRAS-UHFFFAOYSA-N | EX-A7606 | BDBM50462086 | NCGC00387773-01 | N-[(4-dimethylaminophenyl)methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1, 2, 3, 4-tetrahydronaphthalene-1-carboxamide | Q27089210 | 405097-49-6 | N-[(4-dimethylaminophe
Storage
Room temperature
Product Properties
ALogP6.6
Names and Identifiers
Canonical SmilesCC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)N(C)C)C(=O)C3CCCC4=C3C=C(C=C4)OC
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
InChIKeyDVYASSBBADJRAS-UHFFFAOYSA-N
INCHI1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3
Isomeric SMILES CC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)N(C)C)C(=O)C3CCCC4=C3C=C(C=C4)OC
Molecular Weight 456.6
Reaxy-Rn 13498553
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13498553&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNaphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentNaphthalenecarboxamides
Alternative Parents Tetralins  Phenylpropanes  Cumenes  Anilides  Dialkylarylamines  Anisoles  Aniline and substituted anilines  Alkyl aryl ethers  Tertiary carboxylic acid amides  Amino acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents 1-naphthalenecarboxamide - Tetralin - Cumene - Anilide - Phenylpropane - Anisole - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
C5AR1 Tclin C5a anaphylatoxin chemotactic receptor 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight456.600 g/mol
XLogP36.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass456.278 Da
Monoisotopic Mass456.278 Da
Topological Polar Surface Area32.800 Ų
Heavy Atom Count34
Formal Charge0
Complexity634.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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