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

• ChemBase编号: 190926
• 分子式: C32H41NO3
• 平均质量: 487.67284
• 单一同位素质量: 487.30864418
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C32H41NO3/c1-7-32(34)33(22-26-10-16-29(17-11-26)35-23(2)3)21-20-31(27-12-8-25(6)9-13-27)28-14-18-30(19-15-28)36-24(4)5/h8-19,23-24,31H,7,20-22H2,1-6H3
• InChIKey: IATSHFOEJZZTBD-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}propanamide
• IUPAC传统名: N-[3-(4-isopropoxyphenyl)-3-(4-methylphenyl)propyl]-N-[(4-isopropoxyphenyl)methyl]propanamide

登记号

• PubChem SID: 164246836
• PubChem CID: 4299676

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 7.465443
• LogD (pH = 7.4): 7.4654436
• Log P: 7.4654436
• 摩尔折射率: 148.4134 cm^3
• 极化性: 57.821003 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 12
• 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