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

• ChemBase编号: 685310
• 分子式: C14H23N3O4
• 平均质量: 297.35012
• 单一同位素质量: 297.16885623
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NC1(COC)CCCC1)C)C
• Canonical SMILES: COCC1(CCCC1)NC(=O)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C14H23N3O4/c1-16-10(12(19)17(2)13(16)20)8-11(18)15-14(9-21-3)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,15,18)
• InChIKey: PYRWBYSSYQIOHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[1-(methoxymethyl)cyclopentyl]acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[1-(methoxymethyl)cyclopentyl]acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[1-(methoxymethyl)cyclopentyl]acetamide

理论计算性质

JChem

• Acid pKa: 13.828734
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.42768756
• LogD (pH = 7.4): -0.42768764
• Log P: -0.42768747
• 摩尔折射率: 75.434 cm^3
• 极化性: 29.477457 Å^3
• 极化表面积: 78.95 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: 4
• 质子供体: 1
• Log P: -1.45
• LOG S: -1.44
• 极化表面积: 78.95 Å^2
• 可自由旋转的化学键: 5