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

• ChemBase编号: 325082
• 分子式: C15H20N2O5
• 平均质量: 308.3297
• 单一同位素质量: 308.13722175
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(Cc1oc(cc1)C)CC
• Canonical SMILES: CCN(C(=O)CN1C(=O)OC(C1=O)(C)C)Cc1ccc(o1)C
• InChI: InChI=1S/C15H20N2O5/c1-5-16(8-11-7-6-10(2)21-11)12(18)9-17-13(19)15(3,4)22-14(17)20/h6-7H,5,8-9H2,1-4H3
• InChIKey: ZOPUVGCUIFBGIY-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-ethyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• IUPAC传统名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• 别名: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-ethyl-N-[(5-methyl-2-furyl)methyl]acetamide

理论计算性质

JChem

• Acid pKa: 16.027025
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.9636282
• LogD (pH = 7.4): 0.9636282
• Log P: 0.9636282
• 摩尔折射率: 77.8022 cm^3
• 极化性: 29.944183 Å^3
• 极化表面积: 80.06 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: 0
• Log P: 1.68
• LOG S: -2.88
• 极化表面积: 80.06 Å^2
• 可自由旋转的化学键: 5