2-(diethylamino)-2-phenylacetamide

• ChemBase ID: 269796
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C(=O)(C(N(CC)CC)c1ccccc1)N
• Canonical SMILES: CCN(C(c1ccccc1)C(=O)N)CC
• InChI: InChI=1S/C12H18N2O/c1-3-14(4-2)11(12(13)15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H2,13,15)
• InChIKey: GCJFHFOHKMTRKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)-2-phenylacetamide
• IUPAC Traditional name: 2-(diethylamino)-2-phenylacetamide
• Synonyms: 2-(diethylamino)-2-phenylacetamide

Database IDs

• MDL Number: MFCD17167148
• PubChem SID: 164325706
• PubChem CID: 3056281

CALCULATED PROPERTIES

• Acid pKa: 16.36535
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.80657494
• LogD (pH = 7.4): 0.93331677
• Log P: 1.5112555
• Molar Refractivity: 61.75 cm^3
• Polarizability: 24.1156 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 1.747

Product Information

• Purity: 95%