2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

• ChemBase编号: 329479
• 分子式: C20H23N3O4
• 平均质量: 369.41432
• 单一同位素质量: 369.16885623
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1occc1)CCc1ccccc1)C)C
• Canonical SMILES: O=C(N(Cc1ccco1)CCc1ccccc1)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C20H23N3O4/c1-21-17(19(25)22(2)20(21)26)13-18(24)23(14-16-9-6-12-27-16)11-10-15-7-4-3-5-8-15/h3-9,12,17H,10-11,13-14H2,1-2H3
• InChIKey: PZXCXNSMBRNGIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-(2-furylmethyl)-N-(2-phenylethyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.173305
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.3623476
• LogD (pH = 7.4): 1.3623475
• Log P: 1.3623476
• 摩尔折射率: 99.3555 cm^3
• 极化性: 38.13057 Å^3
• 极化表面积: 74.07 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.87
• LOG S: -2.64
• 极化表面积: 74.07 Å^2
• 可自由旋转的化学键: 7