3-(4-methoxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-3-phenylpropanamide

• ChemBase ID: 408992
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: C(=O)(CC(c1ccc(cc1)OC)c1ccccc1)N(CCN1C(=O)CCCC1)C
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)CC(=O)N(CCN1CCCCC1=O)C
• InChI: InChI=1S/C24H30N2O3/c1-25(16-17-26-15-7-6-10-23(26)27)24(28)18-22(19-8-4-3-5-9-19)20-11-13-21(29-2)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-18H2,1-2H3
• InChIKey: OZKUJAIGIKPCKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-3-phenylpropanamide
• IUPAC Traditional name: 3-(4-methoxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-3-phenylpropanamide
• Synonyms: 3-(4-methoxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8762345
• LogD (pH = 7.4): 2.8762345
• Log P: 2.8762345
• Molar Refractivity: 114.4756 cm^3
• Polarizability: 44.38258 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.29
• LOG S: -4.89
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8