2-(cyclohex-1-en-1-yl)-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]acetamide

• ChemBase编号: 776197
• 分子式: C18H26N2O
• 平均质量: 286.41184
• 单一同位素质量: 286.20451346
• SMILES: C(=O)(N(C(Cc1nccc(c1)C)C)C)CC1=CCCCC1
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)CC1=CCCCC1)C)C
• InChI: InChI=1S/C18H26N2O/c1-14-9-10-19-17(11-14)12-15(2)20(3)18(21)13-16-7-5-4-6-8-16/h7,9-11,15H,4-6,8,12-13H2,1-3H3
• InChIKey: GVCKDWUYAIUVJO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(cyclohex-1-en-1-yl)-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]acetamide
• IUPAC传统名: 2-(cyclohex-1-en-1-yl)-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]acetamide
• 别名: 2-cyclohex-1-en-1-yl-N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.8716078
• LogD (pH = 7.4): 3.0656712
• Log P: 3.0688698
• 摩尔折射率: 86.9795 cm^3
• 极化性: 33.539505 Å^3
• 极化表面积: 33.2 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: 2
• 质子供体: 0
• Log P: 2.97
• LOG S: -2.53
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 5