2-[4-(2-methylpropyl)phenyl]-N-(2-{2-[4-(2-methylpropyl)phenyl]propanamido}ethyl)propanamide

• ChemBase编号: 185625
• 分子式: C28H40N2O2
• 平均质量: 436.6294
• 单一同位素质量: 436.30897853
• SMILES: C(=O)(C(c1ccc(cc1)CC(C)C)C)NCCNC(=O)C(c1ccc(cc1)CC(C)C)C
• Canonical SMILES: CC(c1ccc(cc1)CC(C)C)C(=O)NCCNC(=O)C(c1ccc(cc1)CC(C)C)C
• InChI: InChI=1S/C28H40N2O2/c1-19(2)17-23-7-11-25(12-8-23)21(5)27(31)29-15-16-30-28(32)22(6)26-13-9-24(10-14-26)18-20(3)4/h7-14,19-22H,15-18H2,1-6H3,(H,29,31)(H,30,32)
• InChIKey: ADXAZTWBWFPYRO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(2-methylpropyl)phenyl]-N-(2-{2-[4-(2-methylpropyl)phenyl]propanamido}ethyl)propanamide
• IUPAC传统名: 2-[4-(2-methylpropyl)phenyl]-N-(2-{2-[4-(2-methylpropyl)phenyl]propanamido}ethyl)propanamide

登记号

• PubChem SID: 164241535
• PubChem CID: 4371481

理论计算性质

• Acid pKa: 15.552291
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 6.349058
• LogD (pH = 7.4): 6.349058
• Log P: 6.349058
• 摩尔折射率: 132.9326 cm^3
• 极化性: 51.673122 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 11
• 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