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

• ChemBase编号: 412289
• 分子式: C15H18N2O5
• 平均质量: 306.31382
• 单一同位素质量: 306.12157169
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)NCc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CNC(=O)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C15H18N2O5/c1-15(2)13(19)17(14(20)22-15)9-12(18)16-8-10-6-4-5-7-11(10)21-3/h4-7H,8-9H2,1-3H3,(H,16,18)
• InChIKey: JANOEBZEFGRRTH-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-[(2-methoxyphenyl)methyl]acetamide
• IUPAC传统名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
• 别名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-(2-methoxybenzyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.852815
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.9656649
• LogD (pH = 7.4): 0.9656649
• Log P: 0.9656649
• 摩尔折射率: 77.0795 cm^3
• 极化性: 30.115763 Å^3
• 极化表面积: 84.94 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: 5
• 质子供体: 1
• Log P: 1.16
• LOG S: -2.42
• 极化表面积: 84.94 Å^2
• 可自由旋转的化学键: 5