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

• ChemBase编号: 611654
• 分子式: C19H33N3O3
• 平均质量: 351.48362
• 单一同位素质量: 351.25219193
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)CN(CCOC)C)CC1
• Canonical SMILES: COCCN(CC(=O)N1CCC2(C1)CCCN(C2=O)C1CCCC1)C
• InChI: InChI=1S/C19H33N3O3/c1-20(12-13-25-2)14-17(23)21-11-9-19(15-21)8-5-10-22(18(19)24)16-6-3-4-7-16/h16H,3-15H2,1-2H3
• InChIKey: GMVFTOIQPPXMSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclopentyl-2-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclopentyl-2-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclopentyl-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): -1.143446
• LogD (pH = 7.4): 0.35185808
• Log P: 0.56819767
• 摩尔折射率: 97.7579 cm^3
• 极化性: 38.18652 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: 0.76
• LOG S: -2.41
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 6