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

• ChemBase ID: 191005
• Molecular Formular: C31H39NO3
• Molecular Mass: 473.64626
• Monoisotopic Mass: 473.29299411
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C31H39NO3/c1-6-31(33)32(22-25-12-16-28(17-13-25)34-23(2)3)21-20-30(26-10-8-7-9-11-26)27-14-18-29(19-15-27)35-24(4)5/h7-19,23-24,30H,6,20-22H2,1-5H3
• InChIKey: NMBXFPRMKBZVMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246915
• PubChem CID: 3835154

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.9520216
• LogD (pH = 7.4): 6.952022
• Log P: 6.952022
• Molar Refractivity: 143.3722 cm^3
• Polarizability: 56.054928 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds