3-(2,2-dimethyloxan-4-yl)-N,N-diethyl-4-methylpentanamide

• ChemBase ID: 196388
• Molecular Formular: C17H33NO2
• Molecular Mass: 283.44942
• Monoisotopic Mass: 283.2511293
• SMILES: C(=O)(CC(C1CC(OCC1)(C)C)C(C)C)N(CC)CC
• Canonical SMILES: CCN(C(=O)CC(C1CCOC(C1)(C)C)C(C)C)CC
• InChI: InChI=1S/C17H33NO2/c1-7-18(8-2)16(19)11-15(13(3)4)14-9-10-20-17(5,6)12-14/h13-15H,7-12H2,1-6H3
• InChIKey: HEUJCGMLLZGMIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,2-dimethyloxan-4-yl)-N,N-diethyl-4-methylpentanamide
• IUPAC Traditional name: 3-(2,2-dimethyloxan-4-yl)-N,N-diethyl-4-methylpentanamide

Database IDs

• PubChem SID: 164252298
• PubChem CID: 4220264

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9005926
• LogD (pH = 7.4): 2.900614
• Log P: 2.9006143
• Molar Refractivity: 84.4385 cm^3
• Polarizability: 33.212364 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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