N-benzyl-N-{2-[4-(3-methylbutyl)-2-(propan-2-yl)oxan-4-yl]ethyl}acetamide

• ChemBase ID: 202319
• Molecular Formular: C24H39NO2
• Molecular Mass: 373.57196
• Monoisotopic Mass: 373.29807949
• SMILES: N(C(=O)C)(Cc1ccccc1)CCC1(CC(OCC1)C(C)C)CCC(C)C
• Canonical SMILES: CC(CCC1(CCOC(C1)C(C)C)CCN(C(=O)C)Cc1ccccc1)C
• InChI: InChI=1S/C24H39NO2/c1-19(2)11-12-24(14-16-27-23(17-24)20(3)4)13-15-25(21(5)26)18-22-9-7-6-8-10-22/h6-10,19-20,23H,11-18H2,1-5H3
• InChIKey: MSYWYAYYBZLWRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-{2-[4-(3-methylbutyl)-2-(propan-2-yl)oxan-4-yl]ethyl}acetamide
• IUPAC Traditional name: N-benzyl-N-{2-[2-isopropyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide

Database IDs

• PubChem SID: 164258229
• PubChem CID: 4270722

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.154781
• LogD (pH = 7.4): 5.1547813
• Log P: 5.1547813
• Molar Refractivity: 113.0845 cm^3
• Polarizability: 44.669388 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds