N,N'-ethanediyl-bis-benzamide - ≥95% , CAS No.644-33-7

CAS: 644-33-7 Cat. No.: N694289 Peso molecular: 268.31 PubChem CID: 69518

GRADE & PURITY ≥95%

Synonyms

N,N'-(Ethane-1,2-diyl)dibenzamide | N,N'-EthylenebisbenzaMide | N,N'-Dibenzoyl-1,2-ethylenediamine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N, N'-(Ethane-1, 2-diyl)dibenzamide | N, N'-EthylenebisbenzaMide | N, N'-Dibenzoyl-1, 2-ethylenediamine

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Propiedades del producto

• ALogP: 2.2

Nombres e identificadores

• Pubchem Sid: 528765673
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2
• IUPAC Name: N-(2-benzamidoethyl)benzamide
• InChIKey: NWGGAHDZCNJXJA-UHFFFAOYSA-N
• INCHI: 1S/C16H16N2O2/c19-15(13-7-3-1-4-8-13)17-11-12-18-16(20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2
• PubChem CID: 69518
• Peso molecular: 268.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 268.310 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 268.121 Da
• Monoisotopic Mass: 268.121 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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