2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase编号: 439974
• 分子式: C17H24N4O3
• 平均质量: 332.39746
• 单一同位素质量: 332.18484065
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1ncccc1)CC(C)C)C)C
• Canonical SMILES: CC(CN(C(=O)CC1N(C)C(=O)N(C1=O)C)Cc1ccccn1)C
• InChI: InChI=1S/C17H24N4O3/c1-12(2)10-21(11-13-7-5-6-8-18-13)15(22)9-14-16(23)20(4)17(24)19(14)3/h5-8,12,14H,9-11H2,1-4H3
• InChIKey: MREYFTQHZGODOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-isobutyl-N-(pyridin-2-ylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.1742525
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.3793827
• LogD (pH = 7.4): 0.39684165
• Log P: 0.39706928
• 摩尔折射率: 88.6621 cm^3
• 极化性: 34.45917 Å^3
• 极化表面积: 73.82 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.67
• LOG S: -0.89
• 极化表面积: 73.82 Å^2
• 可自由旋转的化学键: 6