3-methyl-N-{3-[2-(2-oxo-1,3-oxazolidin-3-yl)acetamido]phenyl}benzamide

• ChemBase编号: 358720
• 分子式: C19H19N3O4
• 平均质量: 353.37186
• 单一同位素质量: 353.1375561
• SMILES: C1(=O)N(CC(=O)Nc2cc(NC(=O)c3cc(ccc3)C)ccc2)CCO1
• Canonical SMILES: O=C(CN1CCOC1=O)Nc1cccc(c1)NC(=O)c1cccc(c1)C
• InChI: InChI=1S/C19H19N3O4/c1-13-4-2-5-14(10-13)18(24)21-16-7-3-6-15(11-16)20-17(23)12-22-8-9-26-19(22)25/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)(H,21,24)
• InChIKey: FZBGVCVHJOZWLD-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 13.133538
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.3824215
• LogD (pH = 7.4): 2.3824205
• Log P: 2.3824215
• 摩尔折射率: 98.8505 cm^3
• 极化性: 36.305195 Å^3
• 极化表面积: 87.74 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: 4
• 质子供体: 2
• Log P: 2.01
• LOG S: -3.49
• 极化表面积: 87.74 Å^2
• 可自由旋转的化学键: 5