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

• ChemBase ID: 194072
• Molecular Formular: C26H37NO3
• Molecular Mass: 411.57688
• Monoisotopic Mass: 411.27734405
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC)CCC(c1ccc(cc1)OC(C)C)C(C)C
• InChI: InChI=1S/C26H37NO3/c1-7-26(28)27(18-21-8-12-23(29-6)13-9-21)17-16-25(19(2)3)22-10-14-24(15-11-22)30-20(4)5/h8-15,19-20,25H,7,16-18H2,1-6H3
• InChIKey: COVJIFILRBKASE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249982
• PubChem CID: 3743364

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.7764225
• LogD (pH = 7.4): 5.776423
• Log P: 5.776423
• Molar Refractivity: 123.2594 cm^3
• Polarizability: 48.279278 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds