N-[3-(2-acetylphenyl)phenyl]-2-methoxyacetamide

• ChemBase ID: 515437
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: c1(c(C(=O)C)cccc1)c1cc(NC(=O)COC)ccc1
• Canonical SMILES: COCC(=O)Nc1cccc(c1)c1ccccc1C(=O)C
• InChI: InChI=1S/C17H17NO3/c1-12(19)15-8-3-4-9-16(15)13-6-5-7-14(10-13)18-17(20)11-21-2/h3-10H,11H2,1-2H3,(H,18,20)
• InChIKey: GCOOOTSMTBTIBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-acetylphenyl)phenyl]-2-methoxyacetamide
• IUPAC Traditional name: N-[3-(2-acetylphenyl)phenyl]-2-methoxyacetamide
• Synonyms: N-(2'-acetylbiphenyl-3-yl)-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.879494
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2417076
• LogD (pH = 7.4): 2.2417061
• Log P: 2.2417076
• Molar Refractivity: 82.9134 cm^3
• Polarizability: 32.435627 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.83
• LOG S: -2.83
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5