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

• ChemBase编号: 478858
• 分子式: C22H37N3O2
• 平均质量: 375.54808
• 单一同位素质量: 375.28857744
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(CC(=O)N(C2CCCCC2)C)CC1
• Canonical SMILES: CN(C(=O)CN1CCC2(C1)CCCN(C2=O)CC1CCC1)C1CCCCC1
• InChI: InChI=1S/C22H37N3O2/c1-23(19-9-3-2-4-10-19)20(26)16-24-14-12-22(17-24)11-6-13-25(21(22)27)15-18-7-5-8-18/h18-19H,2-17H2,1H3
• InChIKey: GYEVYALCYYBJHH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.59887457
• LogD (pH = 7.4): 1.1505859
• Log P: 2.2848878
• 摩尔折射率: 107.8584 cm^3
• 极化性: 42.276676 Å^3
• 极化表面积: 43.86 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: 3
• 质子供体: 0
• Log P: 3.26
• LOG S: -4.72
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 5