N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]-4-methyl-3-[4-(propan-2-yloxy)phenyl]pentanamide

• ChemBase ID: 194711
• Molecular Formular: C34H45NO4
• Molecular Mass: 531.7254
• Monoisotopic Mass: 531.33485893
• SMILES: c1(C(c2ccc(OC(C)C)cc2)CCNC(=O)CC(c2ccc(OC(C)C)cc2)C(C)C)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNC(=O)CC(c1ccc(cc1)OC(C)C)C(C)C
• InChI: InChI=1S/C34H45NO4/c1-23(2)32(27-14-18-29(19-15-27)39-25(5)6)22-34(36)35-21-20-30(31-10-8-9-11-33(31)37-7)26-12-16-28(17-13-26)38-24(3)4/h8-19,23-25,30,32H,20-22H2,1-7H3,(H,35,36)
• InChIKey: RFCPXTLJKUOXIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]-4-methyl-3-[4-(propan-2-yloxy)phenyl]pentanamide
• IUPAC Traditional name: 3-(4-isopropoxyphenyl)-N-[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]-4-methylpentanamide

Database IDs

• PubChem SID: 164250621
• PubChem CID: 3454664

CALCULATED PROPERTIES

• Acid pKa: 15.45815
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 7.4431787
• LogD (pH = 7.4): 7.443181
• Log P: 7.4431815
• Molar Refractivity: 158.7203 cm^3
• Polarizability: 62.24214 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds