N-{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

• ChemBase ID: 194310
• Molecular Formular: C30H43NO3
• Molecular Mass: 465.66732
• Monoisotopic Mass: 465.32429424
• SMILES: C1(CC(OCC1)C(C)C)(c1ccc(cc1)C)CCN(C(=O)CC)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC1(CCOC(C1)C(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C30H43NO3/c1-7-29(32)31(21-25-10-14-27(15-11-25)34-23(4)5)18-16-30(26-12-8-24(6)9-13-26)17-19-33-28(20-30)22(2)3/h8-15,22-23,28H,7,16-21H2,1-6H3
• InChIKey: GABQDTCSORNSIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide
• IUPAC Traditional name: N-[(4-isopropoxyphenyl)methyl]-N-{2-[2-isopropyl-4-(4-methylphenyl)oxan-4-yl]ethyl}propanamide

Database IDs

• PubChem SID: 164250220
• PubChem CID: 3509464

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.4975286
• LogD (pH = 7.4): 6.497529
• Log P: 6.497529
• Molar Refractivity: 140.1266 cm^3
• Polarizability: 54.86177 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds