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

• ChemBase ID: 203061
• Molecular Formular: C23H37NO2
• Molecular Mass: 359.54538
• Monoisotopic Mass: 359.28242943
• SMILES: N(C(=O)C)(Cc1ccccc1)CCC1(CC(OCC1)(C)C)CCC(C)C
• Canonical SMILES: CC(CCC1(CCOC(C1)(C)C)CCN(C(=O)C)Cc1ccccc1)C
• InChI: InChI=1S/C23H37NO2/c1-19(2)11-12-23(14-16-26-22(4,5)18-23)13-15-24(20(3)25)17-21-9-7-6-8-10-21/h6-10,19H,11-18H2,1-5H3
• InChIKey: IHCCCNHDBGOQON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164258971
• PubChem CID: 3749397

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.547862
• LogD (pH = 7.4): 4.5478625
• Log P: 4.5478625
• Molar Refractivity: 108.7271 cm^3
• Polarizability: 42.82418 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds