2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide

• ChemBase ID: 130340
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: CCN(CC)CC(=O)Nc1c(cc(cc1C)C)C
• Canonical SMILES: CCN(CC(=O)Nc1c(C)cc(cc1C)C)CC
• InChI: InChI=1S/C15H24N2O/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)
• InChIKey: GOZBHBFUQHMKQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide
• IUPAC Traditional name: trimecaine
• Synonyms: N^2,N^2-diethyl-N-mesitylglycinamide; Trimecaine

Database IDs

• CAS Number: 616-68-2
• PubChem SID: 162224619
• PubChem CID: 12028
• Wikipedia Title: Trimecaine

CALCULATED PROPERTIES

• Acid pKa: 14.146161
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1045275
• LogD (pH = 7.4): 2.8291805
• Log P: 3.3563347
• Molar Refractivity: 78.9708 cm^3
• Polarizability: 29.407034 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true