N-cyclohexyl-4-methoxy-N-methyl-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase编号: 667111
• 分子式: C23H36N2O3
• 平均质量: 388.54354
• 单一同位素质量: 388.27259302
• SMILES: C(=O)(N(C1CCCCC1)C)c1cc(OC2CCN(CC2)C(C)C)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C23H36N2O3/c1-17(2)25-14-12-20(13-15-25)28-22-16-18(10-11-21(22)27-4)23(26)24(3)19-8-6-5-7-9-19/h10-11,16-17,19-20H,5-9,12-15H2,1-4H3
• InChIKey: XQBHSEDVSWNUPG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-4-methoxy-N-methyl-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC传统名: N-cyclohexyl-3-[(1-isopropylpiperidin-4-yl)oxy]-4-methoxy-N-methylbenzamide
• 别名: N-cyclohexyl-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxy-N-methylbenzamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.37999195
• LogD (pH = 7.4): 1.9957454
• Log P: 3.5553553
• 摩尔折射率: 113.4889 cm^3
• 极化性: 44.045826 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.26
• LOG S: -3.7
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 4