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

• ChemBase编号: 191005
• 分子式: C31H39NO3
• 平均质量: 473.64626
• 单一同位素质量: 473.29299411
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C31H39NO3/c1-6-31(33)32(22-25-12-16-28(17-13-25)34-23(2)3)21-20-30(26-10-8-7-9-11-26)27-14-18-29(19-15-27)35-24(4)5/h7-19,23-24,30H,6,20-22H2,1-5H3
• InChIKey: NMBXFPRMKBZVMR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164246915
• PubChem CID: 3835154

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.9520216
• LogD (pH = 7.4): 6.952022
• Log P: 6.952022
• 摩尔折射率: 143.3722 cm^3
• 极化性: 56.054928 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

• 分类: Derivatives & analogs of Natural Compounds