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

• ChemBase ID: 191021
• Molecular Formular: C31H40N2O3
• Molecular Mass: 488.6609
• Monoisotopic Mass: 488.30389315
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C31H40N2O3/c1-7-31(34)33(22-24-12-16-26(17-13-24)32(4)5)21-20-28(29-10-8-9-11-30(29)35-6)25-14-18-27(19-15-25)36-23(2)3/h8-19,23,28H,7,20-22H2,1-6H3
• InChIKey: AKFILMQBRLZLEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246931
• PubChem CID: 3727345

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.1984973
• LogD (pH = 7.4): 6.285454
• Log P: 6.286683
• Molar Refractivity: 148.6334 cm^3
• Polarizability: 57.179707 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds