7-cyclohexyl-2-[2-(2-methoxyethoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 494556
• 分子式: C19H32N2O4
• 平均质量: 352.46838
• 单一同位素质量: 352.23620751
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)COCCOC)CC1
• Canonical SMILES: COCCOCC(=O)N1CCC2(C1)CCCN(C2=O)C1CCCCC1
• InChI: InChI=1S/C19H32N2O4/c1-24-12-13-25-14-17(22)20-11-9-19(15-20)8-5-10-21(18(19)23)16-6-3-2-4-7-16/h16H,2-15H2,1H3
• InChIKey: RRFOUFOALIWJQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclohexyl-2-[2-(2-methoxyethoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclohexyl-2-[2-(2-methoxyethoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclohexyl-2-[(2-methoxyethoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• Acid pKa: 19.809929
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.9471443
• LogD (pH = 7.4): 0.9471463
• Log P: 0.9471463
• 摩尔折射率: 95.3833 cm^3
• 极化性: 37.372112 Å^3
• 极化表面积: 59.08 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: 1.64
• LOG S: -3.17
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 6