6-(diethylamino)-2-phenylhexanamide

• ChemBase ID: 53606
• Molecular Formular: C16H26N2O
• Molecular Mass: 262.39044
• Monoisotopic Mass: 262.20451346
• SMILES: C(=O)(C(c1ccccc1)CCCCN(CC)CC)N
• Canonical SMILES: CCN(CCCCC(c1ccccc1)C(=O)N)CC
• InChI: InChI=1S/C16H26N2O/c1-3-18(4-2)13-9-8-12-15(16(17)19)14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H2,17,19)
• InChIKey: YCRITHOZOPVWKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(diethylamino)-2-phenylhexanamide
• IUPAC Traditional name: 6-(diethylamino)-2-phenylhexanamide
• Synonyms: 6-(Diethylamino)-2-phenylhexanamide

Database IDs

• MDL Number: MFCD09063534
• PubChem SID: 162058369
• PubChem CID: 10706637

CALCULATED PROPERTIES

• Acid pKa: 16.787325
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.81489426
• LogD (pH = 7.4): -0.15800953
• Log P: 2.6664276
• Molar Refractivity: 80.718 cm^3
• Polarizability: 31.499266 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false