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

• ChemBase ID: 191214
• Molecular Formular: C28H33NO2
• Molecular Mass: 415.56712
• Monoisotopic Mass: 415.2511293
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccccc1)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C28H33NO2/c1-4-28(30)29(21-23-11-7-5-8-12-23)20-19-27(24-13-9-6-10-14-24)25-15-17-26(18-16-25)31-22(2)3/h5-18,22,27H,4,19-21H2,1-3H3
• InChIKey: HZACOFWZKYPXFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247124
• PubChem CID: 3726472

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.33631
• LogD (pH = 7.4): 6.3363104
• Log P: 6.3363104
• Molar Refractivity: 127.7416 cm^3
• Polarizability: 49.876087 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds