2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide

• ChemBase编号: 507508
• 分子式: C13H21N3O3
• 平均质量: 267.32414
• 单一同位素质量: 267.15829155
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(CC(=C)C)CC)C)C
• Canonical SMILES: CCN(C(=O)CC1N(C)C(=O)N(C1=O)C)CC(=C)C
• InChI: InChI=1S/C13H21N3O3/c1-6-16(8-9(2)3)11(17)7-10-12(18)15(5)13(19)14(10)4/h10H,2,6-8H2,1,3-5H3
• InChIKey: UDSLXYINTQXUPM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide

理论计算性质

JChem

• Acid pKa: 14.178415
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.10408757
• LogD (pH = 7.4): -0.10408751
• Log P: -0.104087435
• 摩尔折射率: 71.1777 cm^3
• 极化性: 27.377312 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.69
• LOG S: -1.74
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 5