N-ethyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)acetamido]-N-phenylbenzamide

• ChemBase编号: 618172
• 分子式: C20H21N3O4
• 平均质量: 367.39844
• 单一同位素质量: 367.15320617
• SMILES: C(=O)(N(c1ccccc1)CC)c1cc(NC(=O)CN2C(=O)OCC2)ccc1
• Canonical SMILES: CCN(C(=O)c1cccc(c1)NC(=O)CN1CCOC1=O)c1ccccc1
• InChI: InChI=1S/C20H21N3O4/c1-2-23(17-9-4-3-5-10-17)19(25)15-7-6-8-16(13-15)21-18(24)14-22-11-12-27-20(22)26/h3-10,13H,2,11-12,14H2,1H3,(H,21,24)
• InChIKey: RBGAFEUCVHYJAR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)acetamido]-N-phenylbenzamide
• IUPAC传统名: N-ethyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)acetamido]-N-phenylbenzamide
• 别名: N-ethyl-3-{[(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino}-N-phenylbenzamide

理论计算性质

JChem

• Acid pKa: 13.109223
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.089874
• LogD (pH = 7.4): 2.0898733
• Log P: 2.089874
• 摩尔折射率: 101.6738 cm^3
• 极化性: 38.21512 Å^3
• 极化表面积: 78.95 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 2.23
• LOG S: -3.78
• 极化表面积: 78.95 Å^2
• 可自由旋转的化学键: 6