2-amino-N-tert-butyl-2-phenylacetamide

• ChemBase ID: 816239
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C(C(=O)NC(C)(C)C)(c1ccccc1)N
• Canonical SMILES: NC(c1ccccc1)C(=O)NC(C)(C)C
• InChI: InChI=1S/C12H18N2O/c1-12(2,3)14-11(15)10(13)9-7-5-4-6-8-9/h4-8,10H,13H2,1-3H3,(H,14,15)
• InChIKey: HYBIFLOQMMPNFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-tert-butyl-2-phenylacetamide
• IUPAC Traditional name: 2-amino-N-tert-butyl-2-phenylacetamide
• Synonyms: N-TERT-BUTYL-2-AMINO-2-PHENYL-ACETAMIDE

CALCULATED PROPERTIES

• Acid pKa: 15.606204
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9167663
• LogD (pH = 7.4): 0.7580302
• Log P: 1.2596469
• Molar Refractivity: 60.8858 cm^3
• Polarizability: 24.115662 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%