N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide

• ChemBase编号: 311831
• 分子式: C14H23NO2
• 平均质量: 237.33792
• 单一同位素质量: 237.17287898
• SMILES: C1(C(=O)N(CC)CC)CC2C(=O)C(C1)CCC2
• Canonical SMILES: CCN(C(=O)C1CC2CCCC(C1)C2=O)CC
• InChI: InChI=1S/C14H23NO2/c1-3-15(4-2)14(17)12-8-10-6-5-7-11(9-12)13(10)16/h10-12H,3-9H2,1-2H3
• InChIKey: SJQNRBALVVJKLQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
• IUPAC传统名: N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
• 别名: N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide

登记号

• CAS号: 483968-39-4
• MDL号: MFCD03230858

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.1317782
• LogD (pH = 7.4): 2.1317794
• Log P: 2.1317794
• 摩尔折射率: 67.5479 cm^3
• 极化性: 26.339401 Å^3
• 极化表面积: 37.38 Å^2