2-[4-(2-methylpropyl)phenyl]-N'-{2-[4-(2-methylpropyl)phenyl]propanoyl}propanehydrazide

• ChemBase编号: 188806
• 分子式: C26H36N2O2
• 平均质量: 408.57624
• 单一同位素质量: 408.2776784
• SMILES: C(=O)(NNC(=O)C(c1ccc(cc1)CC(C)C)C)C(c1ccc(cc1)CC(C)C)C
• Canonical SMILES: CC(c1ccc(cc1)CC(C)C)C(=O)NNC(=O)C(c1ccc(cc1)CC(C)C)C
• InChI: InChI=1S/C26H36N2O2/c1-17(2)15-21-7-11-23(12-8-21)19(5)25(29)27-28-26(30)20(6)24-13-9-22(10-14-24)16-18(3)4/h7-14,17-20H,15-16H2,1-6H3,(H,27,29)(H,28,30)
• InChIKey: ONQMUCBXFXBDBS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(2-methylpropyl)phenyl]-N'-{2-[4-(2-methylpropyl)phenyl]propanoyl}propanehydrazide
• IUPAC传统名: 2-[4-(2-methylpropyl)phenyl]-N'-{2-[4-(2-methylpropyl)phenyl]propanoyl}propanehydrazide

登记号

• PubChem SID: 164244716
• PubChem CID: 3126733

理论计算性质

• Acid pKa: 10.584089
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 6.514067
• LogD (pH = 7.4): 6.5138183
• Log P: 6.51407
• 摩尔折射率: 123.5082 cm^3
• 极化性: 47.982655 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds