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

• ChemBase ID: 192222
• Molecular Formular: C28H32ClNO2
• Molecular Mass: 450.01218
• Monoisotopic Mass: 449.21215695
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccc(Cl)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)Cl)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C28H32ClNO2/c1-4-28(31)30(20-22-10-14-25(29)15-11-22)19-18-27(23-8-6-5-7-9-23)24-12-16-26(17-13-24)32-21(2)3/h5-17,21,27H,4,18-20H2,1-3H3
• InChIKey: PKQWQRGGOVHVTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164248132
• PubChem CID: 3722467

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.9403543
• LogD (pH = 7.4): 6.9403553
• Log P: 6.9403553
• Molar Refractivity: 132.5464 cm^3
• Polarizability: 51.69139 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