3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-bis[(2H7)propan-2-yl]propanamide

• ChemBase ID: 167918
• Molecular Formular: C23H31NO2
• Molecular Mass: 353.49774
• Monoisotopic Mass: 353.23547924
• SMILES: c1cc(cc(c1OC)C(CC(=O)N(C(C)C)C(C)C)c1ccccc1)C
• Canonical SMILES: COc1ccc(cc1C(c1ccccc1)CC(=O)N(C(C)C)C(C)C)C
• InChI: InChI=1S/C23H31NO2/c1-16(2)24(17(3)4)23(25)15-20(19-10-8-7-9-11-19)21-14-18(5)12-13-22(21)26-6/h7-14,16-17,20H,15H2,1-6H3
• InChIKey: BXYCIYQHBLEYJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-bis[(^2H₇)propan-2-yl]propanamide
• IUPAC Traditional name: 3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-bis[(^2H₇)propan-2-yl]propanamide
• Synonyms: N,N-Diisopropyl-3-(2-methoxy-5-methyl-phenyl)-3-phenylpropylamide-d14

Database IDs

• PubChem SID: 162262051
• PubChem CID: 71316289

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0193105
• LogD (pH = 7.4): 5.0193114
• Log P: 5.0193114
• Molar Refractivity: 108.065 cm^3
• Polarizability: 42.014385 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Brown Oil