2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]acetamide

• ChemBase编号: 523813
• 分子式: C19H23N3O4
• 平均质量: 357.40362
• 单一同位素质量: 357.16885623
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(CCn1c(cc2c1cccc2)C)C
• Canonical SMILES: CN(C(=O)CN1C(=O)OC(C1=O)(C)C)CCn1c(C)cc2c1cccc2
• InChI: InChI=1S/C19H23N3O4/c1-13-11-14-7-5-6-8-15(14)21(13)10-9-20(4)16(23)12-22-17(24)19(2,3)26-18(22)25/h5-8,11H,9-10,12H2,1-4H3
• InChIKey: VTXAMQXTUFJCKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]acetamide
• IUPAC传统名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]acetamide
• 别名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]acetamide

理论计算性质

JChem

• Acid pKa: 16.108917
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.9462594
• LogD (pH = 7.4): 1.9462594
• Log P: 1.9462594
• 摩尔折射率: 96.1223 cm^3
• 极化性: 38.16521 Å^3
• 极化表面积: 71.85 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: 0
• Log P: 2.59
• LOG S: -4.02
• 极化表面积: 71.85 Å^2
• 可自由旋转的化学键: 5