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

• ChemBase ID: 190995
• Molecular Formular: C30H37NO3
• Molecular Mass: 459.61968
• Monoisotopic Mass: 459.27734405
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CC(Oc1ccc(cc1)CN(C(=O)C)CCC(c1ccc(cc1)OC(C)C)c1ccccc1)C
• InChI: InChI=1S/C30H37NO3/c1-22(2)33-28-15-11-25(12-16-28)21-31(24(5)32)20-19-30(26-9-7-6-8-10-26)27-13-17-29(18-14-27)34-23(3)4/h6-18,22-23,30H,19-21H2,1-5H3
• InChIKey: RGXVYVSETGBHRY-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}acetamide
• IUPAC Traditional name: N-[3-(4-isopropoxyphenyl)-3-phenylpropyl]-N-[(4-isopropoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164246905
• PubChem CID: 3741115

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.251486
• LogD (pH = 7.4): 6.2514863
• Log P: 6.2514863
• Molar Refractivity: 138.7453 cm^3
• Polarizability: 54.20919 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