Acetamide, N-(3-(cyclohexylamino)-4-methoxyphenyl)- , CAS No.29633-64-5

CAS: 29633-64-5 Cat. No.: A1264235 Molecular Weight: 262.35 EC Number: 249-734-5

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=CC(=C(C=C1)OC)NC2CCCCC2
• IUPAC Name: N-[3-(cyclohexylamino)-4-methoxyphenyl]acetamide
• InChIKey: RDJIABSQIXFOFL-UHFFFAOYSA-N
• INCHI: 1S/C15H22N2O2/c1-11(18)16-13-8-9-15(19-2)14(10-13)17-12-6-4-3-5-7-12/h8-10,12,17H,3-7H2,1-2H3,(H,16,18)
• Molecular Weight: 262.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: Aminophenyl ethers Methoxyanilines N-acetylarylamines Anisoles Methoxybenzenes Phenylalkylamines Phenoxy compounds Alkyl aryl ethers Secondary alkylarylamines Cyclohexylamines Acetamides Amino acids and derivatives Secondary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - Aminophenyl ether - N-acetylarylamine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - N-arylamide - Alkyl aryl ether - Cyclohexylamine - Secondary aliphatic/aromatic amine - Acetamide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• 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

Chemical and Physical Properties

• Molecular Weight: 262.350 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.168 Da
• Monoisotopic Mass: 262.168 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 290.000
• 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