2-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 260119
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: N(C1c2c(CCC1)cccc2)(C(=O)CO)C
• Canonical SMILES: OCC(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C13H17NO2/c1-14(13(16)9-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,15H,4,6,8-9H2,1H3
• InChIKey: HHQQXWYWKFESLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC Traditional name: 2-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• Synonyms: 2-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Database IDs

• MDL Number: MFCD08442372
• PubChem SID: 164316029
• PubChem CID: 16769204

CALCULATED PROPERTIES

• Acid pKa: 13.631312
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3130817
• LogD (pH = 7.4): 1.3130815
• Log P: 1.3130817
• Molar Refractivity: 62.7559 cm^3
• Polarizability: 24.234604 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.897

Product Information

• Purity: 95%