N-benzyl-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide

• ChemBase ID: 193985
• Molecular Formular: C22H29NO2
• Molecular Mass: 339.47116
• Monoisotopic Mass: 339.21982917
• SMILES: N(C(=O)C)(CCC(c1ccc(cc1)OC)C(C)C)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CCN(C(=O)C)Cc1ccccc1
• InChI: InChI=1S/C22H29NO2/c1-17(2)22(20-10-12-21(25-4)13-11-20)14-15-23(18(3)24)16-19-8-6-5-7-9-19/h5-13,17,22H,14-16H2,1-4H3
• InChIKey: YDKXNFONMNHVIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide
• IUPAC Traditional name: N-benzyl-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide

Database IDs

• PubChem SID: 164249895
• PubChem CID: 3702000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.460175
• LogD (pH = 7.4): 4.4601755
• Log P: 4.4601755
• Molar Refractivity: 103.0019 cm^3
• Polarizability: 40.24817 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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