N-benzyl-N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]propanamide

• ChemBase ID: 190718
• Molecular Formular: C29H35NO3
• Molecular Mass: 445.5931
• Monoisotopic Mass: 445.26169399
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1ccccc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccccc1)CCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C29H35NO3/c1-5-29(31)30(21-23-11-7-6-8-12-23)20-19-26(27-13-9-10-14-28(27)32-4)24-15-17-25(18-16-24)33-22(2)3/h6-18,22,26H,5,19-21H2,1-4H3
• InChIKey: JRAPHHUAABOYRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246628
• PubChem CID: 3396604

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.1786385
• LogD (pH = 7.4): 6.1786394
• Log P: 6.1786394
• Molar Refractivity: 134.2048 cm^3
• Polarizability: 52.364056 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