N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(5-oxopyrrolidin-2-yl)acetamide

• ChemBase ID: 317172
• Molecular Formular: C20H28N2O4
• Molecular Mass: 360.44732
• Monoisotopic Mass: 360.20490739
• SMILES: C(=O)(N(Cc1c(ccc(c1)OC)OC)C1CCCC1)CC1NC(=O)CC1
• Canonical SMILES: COc1ccc(cc1CN(C(=O)CC1CCC(=O)N1)C1CCCC1)OC
• InChI: InChI=1S/C20H28N2O4/c1-25-17-8-9-18(26-2)14(11-17)13-22(16-5-3-4-6-16)20(24)12-15-7-10-19(23)21-15/h8-9,11,15-16H,3-7,10,12-13H2,1-2H3,(H,21,23)
• InChIKey: CYYNCOWZOLVBJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(5-oxopyrrolidin-2-yl)acetamide
• IUPAC Traditional name: N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(5-oxopyrrolidin-2-yl)acetamide
• Synonyms: N-cyclopentyl-N-(2,5-dimethoxybenzyl)-2-(5-oxopyrrolidin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.075405
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5993954
• LogD (pH = 7.4): 1.5993958
• Log P: 1.5993958
• Molar Refractivity: 98.2799 cm^3
• Polarizability: 38.433544 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.04
• LOG S: -3.58
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7