2-(morpholin-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide

• ChemBase编号: 526196
• 分子式: C15H19N3O4
• 平均质量: 305.32906
• 单一同位素质量: 305.1375561
• SMILES: N1(C(=O)OCC1)c1cc(NC(=O)CC2NCCOC2)ccc1
• Canonical SMILES: O=C(Nc1cccc(c1)N1CCOC1=O)CC1COCCN1
• InChI: InChI=1S/C15H19N3O4/c19-14(9-12-10-21-6-4-16-12)17-11-2-1-3-13(8-11)18-5-7-22-15(18)20/h1-3,8,12,16H,4-7,9-10H2,(H,17,19)
• InChIKey: WOAFPVPUXXMMII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(morpholin-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
• IUPAC传统名: 2-(morpholin-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
• 别名: 2-(3-morpholinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide

理论计算性质

JChem

• Acid pKa: 13.808682
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -1.9412429
• LogD (pH = 7.4): -0.2247569
• Log P: 0.3472287
• 摩尔折射率: 80.1329 cm^3
• 极化性: 30.79964 Å^3
• 极化表面积: 79.9 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: 5
• 质子供体: 2
• Log P: -0.03
• LOG S: -2.71
• 极化表面积: 79.9 Å^2
• 可自由旋转的化学键: 4