2-(2-formylphenoxy)-N-(4-methylphenyl)acetamide , CAS No.579522-17-1

CAS: 579522-17-1 Cat. No.: F1020040 Peso molecular: 269.290

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C=O
• IUPAC Name: 2-(2-formylphenoxy)-N-(4-methylphenyl)acetamide
• InChIKey: OUFZBTULKOLOAQ-UHFFFAOYSA-N
• INCHI: 1S/C16H15NO3/c1-12-6-8-14(9-7-12)17-16(19)11-20-15-5-3-2-4-13(15)10-18/h2-10H,11H2,1H3,(H,17,19)
• Peso molecular: 269.290

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Benzaldehydes Toluenes Alkyl aryl ethers Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Benzaldehyde - Benzoyl - Phenol ether - N-arylamide - Phenoxy compound - Aryl-aldehyde - Toluene - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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: 269.290 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 269.105 Da
• Monoisotopic Mass: 269.105 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 324.000
• 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