N-cyclohexyl-2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-methylacetamide

• ChemBase编号: 709792
• 分子式: C19H33N3O3
• 平均质量: 351.48362
• 单一同位素质量: 351.25219193
• SMILES: C12(C(=O)N(CCC2)CCO)CN(CC(=O)N(C2CCCCC2)C)CC1
• Canonical SMILES: OCCN1CCCC2(C1=O)CCN(C2)CC(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C19H33N3O3/c1-20(16-6-3-2-4-7-16)17(24)14-21-11-9-19(15-21)8-5-10-22(12-13-23)18(19)25/h16,23H,2-15H2,1H3
• InChIKey: SVPVLVWREJECSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-methylacetamide
• IUPAC传统名: N-cyclohexyl-2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-methylacetamide
• 别名: N-cyclohexyl-2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-N-methylacetamide

理论计算性质

JChem

• Acid pKa: 15.574232
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.5141215
• LogD (pH = 7.4): -0.7646617
• Log P: 0.36963984
• 摩尔折射率: 97.6077 cm^3
• 极化性: 38.1152 Å^3
• 极化表面积: 64.09 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: 4
• 质子供体: 1
• Log P: 1.17
• LOG S: -2.76
• 极化表面积: 64.09 Å^2
• 可自由旋转的化学键: 5