3-{2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl}-N-(3-phenylpropyl)propanamide

• ChemBase ID: 601545
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: N1C(Cc2cc(OC)ccc2)(CCC(=O)NCCCc2ccccc2)CCC1=O
• Canonical SMILES: COc1cccc(c1)CC1(CCC(=O)NCCCc2ccccc2)CCC(=O)N1
• InChI: InChI=1S/C24H30N2O3/c1-29-21-11-5-9-20(17-21)18-24(15-13-23(28)26-24)14-12-22(27)25-16-6-10-19-7-3-2-4-8-19/h2-5,7-9,11,17H,6,10,12-16,18H2,1H3,(H,25,27)(H,26,28)
• InChIKey: DHSBJIGSOAPJJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl}-N-(3-phenylpropyl)propanamide
• IUPAC Traditional name: 3-{2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl}-N-(3-phenylpropyl)propanamide
• Synonyms: 3-[2-(3-methoxybenzyl)-5-oxo-2-pyrrolidinyl]-N-(3-phenylpropyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.213542
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1374831
• LogD (pH = 7.4): 3.1374831
• Log P: 3.1374831
• Molar Refractivity: 113.875 cm^3
• Polarizability: 44.384766 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.05
• LOG S: -3.44
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 9