N-{4-[3-(9H-carbazol-9-yl)-2-hydroxypropoxy]phenyl}acetamide , CAS No.324773-69-5

CAS: 324773-69-5 Cat. No.: N1023642 Peso molecular: 374.400 Número EC: 162-034-3

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O
• IUPAC Name: N-[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]acetamide
• InChIKey: HGFCYMKGYKNDMF-UHFFFAOYSA-N
• INCHI: 1S/C23H22N2O3/c1-16(26)24-17-10-12-19(13-11-17)28-15-18(27)14-25-22-8-4-2-6-20(22)21-7-3-5-9-23(21)25/h2-13,18,27H,14-15H2,1H3,(H,24,26)
• Peso molecular: 374.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Acetanilides N-alkylindoles Indoles N-acetylarylamines Phenoxy compounds Phenol ethers Alkyl aryl ethers Substituted pyrroles Acetamides Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Acetanilide - N-alkylindole - N-acetylarylamine - Indole - Anilide - Phenoxy compound - N-arylamide - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Acetamide - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side 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

Propiedades químicas y físicas

• Peso molecular: 374.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 374.163 Da
• Monoisotopic Mass: 374.163 Da
• Topological Polar Surface Area: 63.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 498.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1