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

• ChemBase编号: 190812
• 分子式: C30H37NO3
• 平均质量: 459.61968
• 单一同位素质量: 459.27734405
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C30H37NO3/c1-6-30(32)31(21-24-9-15-27(33-5)16-10-24)20-19-29(25-11-7-23(4)8-12-25)26-13-17-28(18-14-26)34-22(2)3/h7-18,22,29H,6,19-21H2,1-5H3
• InChIKey: LHXUJVWEFRBMGF-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164246722
• PubChem CID: 4354357

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.69206
• LogD (pH = 7.4): 6.6920605
• Log P: 6.6920605
• 摩尔折射率: 139.246 cm^3
• 极化性: 54.129913 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