N-benzyl-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}propanamide

• ChemBase ID: 203010
• Molecular Formular: C24H39NO2
• Molecular Mass: 373.57196
• Monoisotopic Mass: 373.29807949
• SMILES: N(C(=O)CC)(Cc1ccccc1)CCC1(CC(OCC1)(C)C)CCC(C)C
• Canonical SMILES: CCC(=O)N(Cc1ccccc1)CCC1(CCOC(C1)(C)C)CCC(C)C
• InChI: InChI=1S/C24H39NO2/c1-6-22(26)25(18-21-10-8-7-9-11-21)16-14-24(13-12-20(2)3)15-17-27-23(4,5)19-24/h7-11,20H,6,12-19H2,1-5H3
• InChIKey: YAUWJCHOOUMONV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}propanamide
• IUPAC Traditional name: N-benzyl-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}propanamide

Database IDs

• PubChem SID: 164258920
• PubChem CID: 3756461

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.248398
• LogD (pH = 7.4): 5.2483983
• Log P: 5.2483983
• Molar Refractivity: 113.354 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