N-(2,3-dihydro-1H-inden-2-yl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-propylacetamide

• ChemBase编号: 852054
• 分子式: C19H24N2O4
• 平均质量: 344.40486
• 单一同位素质量: 344.17360726
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(C1Cc2c(C1)cccc2)CCC
• Canonical SMILES: CCCN(C1Cc2c(C1)cccc2)C(=O)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C19H24N2O4/c1-4-9-20(15-10-13-7-5-6-8-14(13)11-15)16(22)12-21-17(23)19(2,3)25-18(21)24/h5-8,15H,4,9-12H2,1-3H3
• InChIKey: CPYDBQWPQCTNDZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,3-dihydro-1H-inden-2-yl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-propylacetamide
• IUPAC传统名: N-(2,3-dihydro-1H-inden-2-yl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-propylacetamide
• 别名: N-(2,3-dihydro-1H-inden-2-yl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-propylacetamide

理论计算性质

JChem

• Acid pKa: 16.051453
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.6146593
• LogD (pH = 7.4): 2.6146593
• Log P: 2.6146593
• 摩尔折射率: 92.5204 cm^3
• 极化性: 36.01548 Å^3
• 极化表面积: 66.92 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: 3.03
• LOG S: -4.3
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 5