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

• ChemBase ID: 190862
• Molecular Formular: C30H37NO4
• Molecular Mass: 475.61908
• Monoisotopic Mass: 475.27225867
• SMILES: N(C(=O)CC)(Cc1cc(c(cc1)OC)OC)CCC(c1ccc(OC(C)C)cc1)c1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(c(c1)OC)OC)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C30H37NO4/c1-6-30(32)31(21-23-12-17-28(33-4)29(20-23)34-5)19-18-27(24-10-8-7-9-11-24)25-13-15-26(16-14-25)35-22(2)3/h7-17,20,22,27H,6,18-19,21H2,1-5H3
• InChIKey: ZXQVVNPFDINXKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246772
• PubChem CID: 3358642

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: 54.863213 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