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

• ChemBase ID: 193935
• Molecular Formular: C23H31NO3
• Molecular Mass: 369.49714
• Monoisotopic Mass: 369.23039386
• SMILES: N(C(=O)C)(CCC(c1ccc(cc1)OC)C(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccc(cc1)OC)C(C)C
• InChI: InChI=1S/C23H31NO3/c1-17(2)23(20-8-12-22(27-5)13-9-20)14-15-24(18(3)25)16-19-6-10-21(26-4)11-7-19/h6-13,17,23H,14-16H2,1-5H3
• InChIKey: GGCSKBVNBXDYMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249845
• PubChem CID: 3776446

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.302504
• LogD (pH = 7.4): 4.302504
• Log P: 4.302504
• Molar Refractivity: 109.4651 cm^3
• Polarizability: 42.745575 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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