N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

• ChemBase编号: 191185
• 分子式: C31H39NO3
• 平均质量: 473.64626
• 单一同位素质量: 473.29299411
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C31H39NO3/c1-22(2)34-29-15-9-26(10-16-29)21-32(25(6)33)20-19-31(27-11-7-24(5)8-12-27)28-13-17-30(18-14-28)35-23(3)4/h7-18,22-23,31H,19-21H2,1-6H3
• InChIKey: QSAUDJHNRXGUEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
• IUPAC传统名: N-[3-(4-isopropoxyphenyl)-3-(4-methylphenyl)propyl]-N-[(4-isopropoxyphenyl)methyl]acetamide

登记号

• PubChem SID: 164247095
• PubChem CID: 3338258

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.7649074
• LogD (pH = 7.4): 6.764908
• Log P: 6.764908
• 摩尔折射率: 143.7865 cm^3
• 极化性: 55.97525 Å^3
• 极化表面积: 38.77 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

• 简要说明: 2 Diastereomers
• 分类: Derivatives & analogs of Natural Compounds