2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(naphthalen-1-yl)propan-2-yl]acetamide

• ChemBase编号: 636293
• 分子式: C18H19N3O3
• 平均质量: 325.36176
• 单一同位素质量: 325.14264148
• SMILES: N1C(=O)NC(C1=O)CC(=O)NC(c1c2c(ccc1)cccc2)(C)C
• Canonical SMILES: O=C(NC(c1cccc2c1cccc2)(C)C)CC1NC(=O)NC1=O
• InChI: InChI=1S/C18H19N3O3/c1-18(2,13-9-5-7-11-6-3-4-8-12(11)13)21-15(22)10-14-16(23)20-17(24)19-14/h3-9,14H,10H2,1-2H3,(H,21,22)(H2,19,20,23,24)
• InChIKey: DAGIGZRFCWMZRE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(naphthalen-1-yl)propan-2-yl]acetamide
• IUPAC传统名: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(naphthalen-1-yl)propan-2-yl]acetamide
• 别名: 2-(2,5-dioxoimidazolidin-4-yl)-N-[1-methyl-1-(1-naphthyl)ethyl]acetamide

理论计算性质

JChem

• Acid pKa: 9.632477
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 1.3045353
• LogD (pH = 7.4): 1.3020605
• Log P: 1.3045669
• 摩尔折射率: 88.4141 cm^3
• 极化性: 35.451756 Å^3
• 极化表面积: 87.3 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 3
• Log P: 1.13
• LOG S: -2.54
• 极化表面积: 87.3 Å^2
• 可自由旋转的化学键: 4