N-[3-(2,6-dimethoxyphenyl)phenyl]acetamide

• ChemBase ID: 849998
• Molecular Formular: C16H17NO3
• Molecular Mass: 271.31108
• Monoisotopic Mass: 271.12084341
• SMILES: c1(c2c(OC)cccc2OC)cc(NC(=O)C)ccc1
• Canonical SMILES: COc1cccc(c1c1cccc(c1)NC(=O)C)OC
• InChI: InChI=1S/C16H17NO3/c1-11(18)17-13-7-4-6-12(10-13)16-14(19-2)8-5-9-15(16)20-3/h4-10H,1-3H3,(H,17,18)
• InChIKey: OINBBUDNCPUVTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,6-dimethoxyphenyl)phenyl]acetamide
• IUPAC Traditional name: N-[3-(2,6-dimethoxyphenyl)phenyl]acetamide
• Synonyms: N-(2',6'-dimethoxybiphenyl-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.162837
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.542839
• LogD (pH = 7.4): 2.542839
• Log P: 2.542839
• Molar Refractivity: 78.9836 cm^3
• Polarizability: 31.20533 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.95
• LOG S: -2.84
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4