N-[3-(4-methoxyphenyl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide

• ChemBase ID: 193882
• Molecular Formular: C24H33NO3
• Molecular Mass: 383.52372
• Monoisotopic Mass: 383.24604392
• SMILES: N(C(=O)CC)(CCC(c1ccc(cc1)OC)C(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC(c1ccc(cc1)OC)C(C)C
• InChI: InChI=1S/C24H33NO3/c1-6-24(26)25(17-19-7-11-21(27-4)12-8-19)16-15-23(18(2)3)20-9-13-22(28-5)14-10-20/h7-14,18,23H,6,15-17H2,1-5H3
• InChIKey: NYEHLIZUHZWKED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methoxyphenyl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
• IUPAC Traditional name: N-[3-(4-methoxyphenyl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide

Database IDs

• PubChem SID: 164249792
• PubChem CID: 4361723

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0030394
• LogD (pH = 7.4): 5.00304
• Log P: 5.0030403
• Molar Refractivity: 114.092 cm^3
• Polarizability: 44.59007 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds