N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

• ChemBase编号: 192961
• 分子式: C17H27NO2
• 平均质量: 277.40178
• 单一同位素质量: 277.20417911
• SMILES: C12(C(C(C(=O)C1)(CC2)C)(C)C)C(=O)NC1CCCCC1
• Canonical SMILES: O=C(C12CCC(C2(C)C)(C(=O)C1)C)NC1CCCCC1
• InChI: InChI=1S/C17H27NO2/c1-15(2)16(3)9-10-17(15,11-13(16)19)14(20)18-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,20)
• InChIKey: YAHQIULGINJPAD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
• IUPAC传统名: N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

登记号

• PubChem SID: 164248871
• PubChem CID: 2930121

理论计算性质

• 摩尔折射率: 78.4174 cm^3
• 极化性: 31.13381 Å^3
• 极化表面积: 46.17 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 15.810181
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.260713
• LogD (pH = 7.4): 3.260729
• Log P: 3.2607293

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds