Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | O=C([C@H](NC(=O)c1ccco1)C)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1 |
|---|---|
| IUPAC Name | N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide |
| InChIKey | RTRADBQSZJIRMT-GOSISDBHSA-N |
| INCHI | 1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1 |
| Isómeros SMILES | C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3CC3)NC(=O)C4=CC=CO4 |
| PubChem CID | 10389213 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids and derivatives |
| Alternative Parents | Alkyl-phenylketones Alpha amino acid amides 2-heteroaryl carboxamides Aryl alkyl ketones Benzoyl derivatives Furoic acid and derivatives Phenol ethers Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid amide - Phenylketone - Aryl ketone - Aryl alkyl ketone - Phenol ether - 2-heteroaryl carboxamide - Benzoyl - Furoic acid or derivatives - Phenoxy compound - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Peso molecular | 453.500 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 453.226 Da |
| Monoisotopic Mass | 453.226 Da |
| Topological Polar Surface Area | 92.100 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 682.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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