N-(3-bromo-2,6-dimethylphenyl)-2-(ethylamino)acetamide

• ChemBase ID: 166176
• Molecular Formular: C12H17BrN2O
• Molecular Mass: 285.18018
• Monoisotopic Mass: 284.05242517
• SMILES: c1cc(c(c(c1C)NC(=O)CNCC)C)Br
• Canonical SMILES: CCNCC(=O)Nc1c(C)ccc(c1C)Br
• InChI: InChI=1S/C12H17BrN2O/c1-4-14-7-11(16)15-12-8(2)5-6-10(13)9(12)3/h5-6,14H,4,7H2,1-3H3,(H,15,16)
• InChIKey: YDYGWAJFVCUMKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-bromo-2,6-dimethylphenyl)-2-(ethylamino)acetamide
• IUPAC Traditional name: N-(3-bromo-2,6-dimethylphenyl)-2-(ethylamino)acetamide
• Synonyms: N-(3-Bromo-2,6-dimethylphenyl)-2-(ethylamino)acetamide; N-Desethyl 3-Bromo Lidocaine

Database IDs

• PubChem SID: 162260309
• PubChem CID: 71315598

CALCULATED PROPERTIES

• Acid pKa: 13.552777
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.024561448
• LogD (pH = 7.4): 1.6764909
• Log P: 2.8718102
• Molar Refractivity: 71.5091 cm^3
• Polarizability: 26.69817 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Yellow Solid

DETAILS

Toronto Research Chemicals - D288920

Intermediate in the preparation of hydroxylated Lidocaine metabolites.