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

• ChemBase ID: 191076
• Molecular Formular: C29H35NO3
• Molecular Mass: 445.5931
• Monoisotopic Mass: 445.26169399
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C29H35NO3/c1-5-29(31)30(21-23-11-15-26(32-4)16-12-23)20-19-28(24-9-7-6-8-10-24)25-13-17-27(18-14-25)33-22(2)3/h6-18,22,28H,5,19-21H2,1-4H3
• InChIKey: IFZXLUFTXQBRSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246986
• PubChem CID: 3840646

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: 52.36387 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