3-(3-acetamidophenyl)-4-methoxy-N-methylbenzamide

• ChemBase ID: 472776
• Molecular Formular: C17H18N2O3
• Molecular Mass: 298.33642
• Monoisotopic Mass: 298.13174245
• SMILES: c1(cc(C(=O)NC)ccc1OC)c1cc(NC(=O)C)ccc1
• Canonical SMILES: COc1ccc(cc1c1cccc(c1)NC(=O)C)C(=O)NC
• InChI: InChI=1S/C17H18N2O3/c1-11(20)19-14-6-4-5-12(9-14)15-10-13(17(21)18-2)7-8-16(15)22-3/h4-10H,1-3H3,(H,18,21)(H,19,20)
• InChIKey: WYUVJDWEMYNYSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-acetamidophenyl)-4-methoxy-N-methylbenzamide
• IUPAC Traditional name: 3-(3-acetamidophenyl)-4-methoxy-N-methylbenzamide
• Synonyms: 3'-(acetylamino)-6-methoxy-N-methyl-3-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.145956
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7748263
• LogD (pH = 7.4): 1.7748265
• Log P: 1.7748266
• Molar Refractivity: 86.4955 cm^3
• Polarizability: 33.34457 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.43
• LOG S: -2.6
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4