N,8-dimethyl-2-propyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase编号: 412790
• 分子式: C20H32N4O
• 平均质量: 344.49428
• 单一同位素质量: 344.25761166
• SMILES: C(=O)(C1N(CC2(C1)CCN(CC2)C)CCC)N(Cc1cnccc1)C
• Canonical SMILES: CCCN1CC2(CC1C(=O)N(Cc1cccnc1)C)CCN(CC2)C
• InChI: InChI=1S/C20H32N4O/c1-4-10-24-16-20(7-11-22(2)12-8-20)13-18(24)19(25)23(3)15-17-6-5-9-21-14-17/h5-6,9,14,18H,4,7-8,10-13,15-16H2,1-3H3
• InChIKey: XWYPOLFBSRSGGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,8-dimethyl-2-propyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC传统名: N,8-dimethyl-2-propyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• 别名: N,8-dimethyl-2-propyl-N-(3-pyridinylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -5.274604
• LogD (pH = 7.4): -2.64814
• Log P: 1.2985245
• 摩尔折射率: 102.0975 cm^3
• 极化性: 39.859234 Å^3
• 极化表面积: 39.68 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: 0
• Log P: 1.12
• LOG S: -1.37
• 极化表面积: 39.68 Å^2
• 可自由旋转的化学键: 5