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

• ChemBase ID: 192596
• Molecular Formular: C24H33NO2
• Molecular Mass: 367.52432
• Monoisotopic Mass: 367.2511293
• SMILES: C(=O)(CC(c1ccc(OC(C)C)cc1)c1ccccc1)N(CCC)CCC
• Canonical SMILES: CCCN(C(=O)CC(c1ccccc1)c1ccc(cc1)OC(C)C)CCC
• InChI: InChI=1S/C24H33NO2/c1-5-16-25(17-6-2)24(26)18-23(20-10-8-7-9-11-20)21-12-14-22(15-13-21)27-19(3)4/h7-15,19,23H,5-6,16-18H2,1-4H3
• InChIKey: GMAGIRQJBVVHDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-3-[4-(propan-2-yloxy)phenyl]-N,N-dipropylpropanamide
• IUPAC Traditional name: 3-(4-isopropoxyphenyl)-3-phenyl-N,N-dipropylpropanamide

Database IDs

• PubChem SID: 164248506
• PubChem CID: 2964482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.491166
• LogD (pH = 7.4): 5.4911675
• Log P: 5.4911675
• Molar Refractivity: 112.4016 cm^3
• Polarizability: 43.939873 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds