3-(4-methoxyphenyl)-N,N-dimethyl-3-phenylpropanamide

• ChemBase ID: 861168
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: C(=O)(CC(c1ccc(cc1)OC)c1ccccc1)N(C)C
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)CC(=O)N(C)C
• InChI: InChI=1S/C18H21NO2/c1-19(2)18(20)13-17(14-7-5-4-6-8-14)15-9-11-16(21-3)12-10-15/h4-12,17H,13H2,1-3H3
• InChIKey: WZQWMPOYHHSJCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-N,N-dimethyl-3-phenylpropanamide
• IUPAC Traditional name: 3-(4-methoxyphenyl)-N,N-dimethyl-3-phenylpropanamide
• Synonyms: 3-(4-methoxyphenyl)-N,N-dimethyl-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.959124
• LogD (pH = 7.4): 2.959124
• Log P: 2.959124
• Molar Refractivity: 84.689 cm^3
• Polarizability: 32.86671 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.65
• LOG S: -3.31
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4