8-methyl-N-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase编号: 464028
• 分子式: C22H35N3O
• 平均质量: 357.5328
• 单一同位素质量: 357.27801276
• SMILES: N1(C(C(=O)NCCCc2ccccc2)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCCCc1ccccc1)CCN(CC2)C
• InChI: InChI=1S/C22H35N3O/c1-3-14-25-18-22(11-15-24(2)16-12-22)17-20(25)21(26)23-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,20H,3,7,10-18H2,1-2H3,(H,23,26)
• InChIKey: VSFXHWAQGVSVCE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methyl-N-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC传统名: 8-methyl-N-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• 别名: 8-methyl-N-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

理论计算性质

JChem

• Acid pKa: 15.963861
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.4772303
• LogD (pH = 7.4): -0.8789153
• Log P: 3.0257506
• 摩尔折射率: 108.7137 cm^3
• 极化性: 42.623146 Å^3
• 极化表面积: 35.58 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.1
• LOG S: -4.45
• 极化表面积: 35.58 Å^2
• 可自由旋转的化学键: 7