N-(2-methoxyethyl)-2-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)propanamide

• ChemBase编号: 703502
• 分子式: C16H23N3O3
• 平均质量: 305.37212
• 单一同位素质量: 305.17394161
• SMILES: N1(C(C(=O)N(Cc2ncccc2)CCOC)C)C(=O)CCC1
• Canonical SMILES: COCCN(C(=O)C(N1CCCC1=O)C)Cc1ccccn1
• InChI: InChI=1S/C16H23N3O3/c1-13(19-9-5-7-15(19)20)16(21)18(10-11-22-2)12-14-6-3-4-8-17-14/h3-4,6,8,13H,5,7,9-12H2,1-2H3
• InChIKey: GGCDGINGUUXCCT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-2-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
• IUPAC传统名: N-(2-methoxyethyl)-2-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
• 别名: N-(2-methoxyethyl)-2-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)propanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.14516303
• LogD (pH = 7.4): -0.1277066
• Log P: -0.12747909
• 摩尔折射率: 82.3257 cm^3
• 极化性: 32.08758 Å^3
• 极化表面积: 62.74 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -0.18
• LOG S: -1.28
• 极化表面积: 62.74 Å^2
• 可自由旋转的化学键: 7