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

• ChemBase编号: 322717
• 分子式: C16H20N2O5
• 平均质量: 320.3404
• 单一同位素质量: 320.13722175
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(CCOc1ccccc1)C
• Canonical SMILES: CN(C(=O)CN1C(=O)OC(C1=O)(C)C)CCOc1ccccc1
• InChI: InChI=1S/C16H20N2O5/c1-16(2)14(20)18(15(21)23-16)11-13(19)17(3)9-10-22-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
• InChIKey: RGVBRXODENVAMC-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-phenoxyethyl)acetamide
• IUPAC传统名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
• 别名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide

理论计算性质

Provided by Chembridge

• 可自由旋转的化学键: 6
• 质子受体: 5
• 质子供体: 0
• Log P: 1.57
• LOG S: -2.88
• 极化表面积: 76.15 Å^2

JChem

• 里宾斯基五规则: true
• Acid pKa: 16.101685
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.2665888
• LogD (pH = 7.4): 1.2665888
• Log P: 1.2665888
• 摩尔折射率: 81.4526 cm^3
• 极化性: 31.948519 Å^3
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 6