2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(2-ethoxypyridin-3-yl)methyl]acetamide

• ChemBase编号: 474926
• 分子式: C15H20N4O4
• 平均质量: 320.3437
• 单一同位素质量: 320.14845514
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1c(nccc1)OCC)C)C
• Canonical SMILES: CCOc1ncccc1CNC(=O)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C15H20N4O4/c1-4-23-13-10(6-5-7-16-13)9-17-12(20)8-11-14(21)19(3)15(22)18(11)2/h5-7,11H,4,8-9H2,1-3H3,(H,17,20)
• InChIKey: URJANSPOZIMMEO-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-ethoxypyridin-3-yl)methyl]acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(2-ethoxypyridin-3-yl)methyl]acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(2-ethoxypyridin-3-yl)methyl]acetamide

理论计算性质

JChem

• Acid pKa: 14.142534
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.35939884
• LogD (pH = 7.4): -0.35879543
• Log P: -0.35878766
• 摩尔折射率: 82.0687 cm^3
• 极化性: 31.515556 Å^3
• 极化表面积: 91.84 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: 5
• 质子供体: 1
• Log P: -1.16
• LOG S: -1.86
• 极化表面积: 91.84 Å^2
• 可自由旋转的化学键: 6