N-cyclopentyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase编号: 708750
• 分子式: C14H20N2O3
• 平均质量: 264.3202
• 单一同位素质量: 264.14739251
• SMILES: n1(c(=O)c(ccc1)OC)C(C(=O)NC1CCCC1)C
• Canonical SMILES: COc1cccn(c1=O)C(C(=O)NC1CCCC1)C
• InChI: InChI=1S/C14H20N2O3/c1-10(13(17)15-11-6-3-4-7-11)16-9-5-8-12(19-2)14(16)18/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,17)
• InChIKey: VTNGOWPNUYPVMH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC传统名: N-cyclopentyl-2-(3-methoxy-2-oxopyridin-1-yl)propanamide
• 别名: N-cyclopentyl-2-(3-methoxy-2-oxopyridin-1(2H)-yl)propanamide

理论计算性质

JChem

• Acid pKa: 15.369376
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.92472386
• LogD (pH = 7.4): 0.92472386
• Log P: 0.92472386
• 摩尔折射率: 73.3712 cm^3
• 极化性: 27.706339 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 0.7
• LOG S: -1.73
• 极化表面积: 60.33 Å^2
• 可自由旋转的化学键: 4