7-cyclohexyl-2-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 353309
• 分子式: C20H35N3O3
• 平均质量: 365.5102
• 单一同位素质量: 365.267842
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)CN(CCOC)C)CC1
• Canonical SMILES: COCCN(CC(=O)N1CCC2(C1)CCCN(C2=O)C1CCCCC1)C
• InChI: InChI=1S/C20H35N3O3/c1-21(13-14-26-2)15-18(24)22-12-10-20(16-22)9-6-11-23(19(20)25)17-7-4-3-5-8-17/h17H,3-16H2,1-2H3
• InChIKey: JOWXMIDEAGKTEF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclohexyl-2-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclohexyl-2-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclohexyl-2-[N-(2-methoxyethyl)-N-methylglycyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.69887733
• LogD (pH = 7.4): 0.7964268
• Log P: 1.0127664
• 摩尔折射率: 102.3589 cm^3
• 极化性: 40.024403 Å^3
• 极化表面积: 53.09 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: 1.32
• LOG S: -2.99
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 6