4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

• ChemBase编号: 193429
• 分子式: C20H34N2O2
• 平均质量: 334.49616
• 单一同位素质量: 334.26202834
• SMILES: C12(C(C(C(=O)C1)(CC2)C)(C)C)C(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(C12CCC(C2(C)C)(C(=O)C1)C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C20H34N2O2/c1-16(2)10-13(11-17(3,4)22-16)21-15(24)20-9-8-19(7,14(23)12-20)18(20,5)6/h13,22H,8-12H2,1-7H3,(H,21,24)
• InChIKey: ONQAYZAARFLCHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
• IUPAC传统名: 4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

登记号

• PubChem SID: 164249339
• PubChem CID: 2920504

理论计算性质

• Acid pKa: 15.892733
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.73033047
• LogD (pH = 7.4): -0.22967765
• Log P: 2.4995203
• 摩尔折射率: 95.6736 cm^3
• 极化性: 38.18548 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds