2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(diphenylmethyl)acetamide

• ChemBase编号: 782167
• 分子式: C20H21N3O3
• 平均质量: 351.39904
• 单一同位素质量: 351.15829155
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NC(c1ccccc1)c1ccccc1)C)C
• Canonical SMILES: CN1C(=O)N(C(=O)C1CC(=O)NC(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C20H21N3O3/c1-22-16(19(25)23(2)20(22)26)13-17(24)21-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,13H2,1-2H3,(H,21,24)
• InChIKey: GXXFSFXQCLBBBA-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 13.224818
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.8495307
• LogD (pH = 7.4): 1.8495302
• Log P: 1.8495307
• 摩尔折射率: 96.9831 cm^3
• 极化性: 37.54859 Å^3
• 极化表面积: 69.72 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: 1
• Log P: 0.95
• LOG S: -2.57
• 极化表面积: 69.72 Å^2
• 可自由旋转的化学键: 5