(2S)-2-hydroxy-N-methoxy-N-methyl-2-phenylacetamide

• ChemBase ID: 170765
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: N(C(=O)[C@@H](O)c1ccccc1)(C)OC
• Canonical SMILES: CON(C(=O)[C@H](c1ccccc1)O)C
• InChI: InChI=1S/C10H13NO3/c1-11(14-2)10(13)9(12)8-6-4-3-5-7-8/h3-7,9,12H,1-2H3/t9-/m0/s1
• InChIKey: GDEKHSQWWGCDRA-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-hydroxy-N-methoxy-N-methyl-2-phenylacetamide
• IUPAC Traditional name: (2S)-2-hydroxy-N-methoxy-N-methyl-2-phenylacetamide
• Synonyms: (S)-α-Hydroxy-N-methoxy-N-methyl-benzeneacetamide; (S)-1-Hydroxy-N-methoxy-N-methyl-benzeneacetamide

Database IDs

• PubChem SID: 164226675
• PubChem CID: 5325618

CALCULATED PROPERTIES

• Acid pKa: 12.360335
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.687348
• LogD (pH = 7.4): 0.68734336
• Log P: 0.68734807
• Molar Refractivity: 51.6696 cm^3
• Polarizability: 20.224897 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol

Safety Information

• Storage Condition: -20°C Freezer