N-benzyl-N-(cyclobutylmethyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 441379
• 分子式: C19H24N2O4
• 平均质量: 344.40486
• 单一同位素质量: 344.17360726
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(Cc1ccccc1)CC1CCC1
• Canonical SMILES: O=C(N(Cc1ccccc1)CC1CCC1)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C19H24N2O4/c1-19(2)17(23)21(18(24)25-19)13-16(22)20(12-15-9-6-10-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3
• InChIKey: VGZXEHMXIFHKHJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-N-(cyclobutylmethyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-benzyl-N-(cyclobutylmethyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-benzyl-N-(cyclobutylmethyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

Provided by Chembridge

• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 4
• 质子供体: 0
• Log P: 2.99
• LOG S: -4.26

JChem

• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• Acid pKa: 16.041918
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.572158
• LogD (pH = 7.4): 2.572158
• Log P: 2.572158
• 摩尔折射率: 92.056 cm^3
• 极化性: 36.016407 Å^3
• 极化表面积: 66.92 Å^2