2-(2-ethoxy-4-formylphenoxy)-N-(2-methylphenyl)acetamide - ≥97% , CAS No.247592-68-3

CAS: 247592-68-3 Cat. No.: E1045385 Fórmula: C₁₈H₁₉NO₄ Peso molecular: 313.353 PubChem CID: 774726

GRAU & PUREZA ≥97%

Storage

Room temperature

Especificações

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=CC=CC=C2C

IUPAC Name

2-(2-ethoxy-4-formylphenoxy)-N-(2-methylphenyl)acetamide

InChIKey

OOFYVYMGVARZGK-UHFFFAOYSA-N

INCHI

1S/C18H19NO4/c1-3-22-17-10-14(11-20)8-9-16(17)23-12-18(21)19-15-7-5-4-6-13(15)2/h4-11H,3,12H2,1-2H3,(H,19,21)

SMILES isoméricas

CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=CC=CC=C2C

PubChem CID

774726

Peso molecular

313.353

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Benzaldehyde - Benzoyl - Phenol ether - N-arylamide - Phenoxy compound - Alkyl aryl ether - Aryl-aldehyde - Toluene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 313.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 313.131 Da
• Monoisotopic Mass: 313.131 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 387.000
• 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