N-[(2-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)propanamide

• ChemBase ID: 462802
• Molecular Formular: C21H25N3O3
• Molecular Mass: 367.4415
• Monoisotopic Mass: 367.18959168
• SMILES: N1(C(C(=O)N(Cc2c(OC)cccc2)Cc2ccncc2)C)C(=O)CCC1
• Canonical SMILES: COc1ccccc1CN(C(=O)C(N1CCCC1=O)C)Cc1ccncc1
• InChI: InChI=1S/C21H25N3O3/c1-16(24-13-5-8-20(24)25)21(26)23(14-17-9-11-22-12-10-17)15-18-6-3-4-7-19(18)27-2/h3-4,6-7,9-12,16H,5,8,13-15H2,1-2H3
• InChIKey: JLJOCIOYGWLVKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
• Synonyms: N-(2-methoxybenzyl)-2-(2-oxopyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2952262
• LogD (pH = 7.4): 1.4032068
• Log P: 1.4048264
• Molar Refractivity: 102.8802 cm^3
• Polarizability: 39.79894 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.25
• LOG S: -1.65
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 7