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

• ChemBase ID: 191681
• Molecular Formular: C30H37NO4
• Molecular Mass: 475.61908
• Monoisotopic Mass: 475.27225867
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1ccc(OC(C)C)cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1OC)CCN(C(=O)CC)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C30H37NO4/c1-6-30(32)31(21-23-11-15-26(16-12-23)35-22(2)3)20-19-27(24-13-17-25(33-4)18-14-24)28-9-7-8-10-29(28)34-5/h7-18,22,27H,6,19-21H2,1-5H3
• InChIKey: JAJUTBJSAOYVLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide
• IUPAC Traditional name: N-[(4-isopropoxyphenyl)methyl]-N-[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]propanamide

Database IDs

• PubChem SID: 164247591
• PubChem CID: 4667612

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.0209675
• LogD (pH = 7.4): 6.020968
• Log P: 6.020968
• Molar Refractivity: 140.668 cm^3
• Polarizability: 54.861385 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds