N-[3-(4-methoxyphenyl)-4-methylpentyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

• ChemBase ID: 194393
• Molecular Formular: C25H35NO3
• Molecular Mass: 397.5503
• Monoisotopic Mass: 397.26169399
• SMILES: N(C(=O)C)(CCC(c1ccc(cc1)OC)C(C)C)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CCN(C(=O)C)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C25H35NO3/c1-18(2)25(22-9-13-23(28-6)14-10-22)15-16-26(20(5)27)17-21-7-11-24(12-8-21)29-19(3)4/h7-14,18-19,25H,15-17H2,1-6H3
• InChIKey: AXKXGWYOMGUQRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250303
• PubChem CID: 4256222

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0758867
• LogD (pH = 7.4): 5.075887
• Log P: 5.075887
• Molar Refractivity: 118.6325 cm^3
• Polarizability: 46.434425 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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