2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide

• ChemBase编号: 855494
• 分子式: C18H23N3O3
• 平均质量: 329.39352
• 单一同位素质量: 329.17394161
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1cc2c(cc1)CCCC2)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C18H23N3O3/c1-20-15(17(23)21(2)18(20)24)10-16(22)19-11-12-7-8-13-5-3-4-6-14(13)9-12/h7-9,15H,3-6,10-11H2,1-2H3,(H,19,22)
• InChIKey: RNZFXSABNFJJMO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.189348
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.5175447
• LogD (pH = 7.4): 1.5175447
• Log P: 1.5175447
• 摩尔折射率: 90.1825 cm^3
• 极化性: 34.46013 Å^3
• 极化表面积: 69.72 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: 1
• Log P: 0.89
• LOG S: -2.36
• 极化表面积: 69.72 Å^2
• 可自由旋转的化学键: 4