N,N-diethyl-3-phenyl-3-[4-(propan-2-yloxy)phenyl]propanamide

• ChemBase编号: 191624
• 分子式: C22H29NO2
• 平均质量: 339.47116
• 单一同位素质量: 339.21982917
• SMILES: C(=O)(CC(c1ccc(OC(C)C)cc1)c1ccccc1)N(CC)CC
• Canonical SMILES: CCN(C(=O)CC(c1ccccc1)c1ccc(cc1)OC(C)C)CC
• InChI: InChI=1S/C22H29NO2/c1-5-23(6-2)22(24)16-21(18-10-8-7-9-11-18)19-12-14-20(15-13-19)25-17(3)4/h7-15,17,21H,5-6,16H2,1-4H3
• InChIKey: PWCHJIKFPJKPKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethyl-3-phenyl-3-[4-(propan-2-yloxy)phenyl]propanamide
• IUPAC传统名: N,N-diethyl-3-(4-isopropoxyphenyl)-3-phenylpropanamide

登记号

• PubChem SID: 164247534
• PubChem CID: 2946169

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.4461226
• LogD (pH = 7.4): 4.446123
• Log P: 4.446123
• 摩尔折射率: 103.3536 cm^3
• 极化性: 40.2482 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds