N-cyclopentyl-2-hydroxy-N-methylbenzamide

• ChemBase ID: 262618
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: C(=O)(c1c(O)cccc1)N(C1CCCC1)C
• Canonical SMILES: CN(C(=O)c1ccccc1O)C1CCCC1
• InChI: InChI=1S/C13H17NO2/c1-14(10-6-2-3-7-10)13(16)11-8-4-5-9-12(11)15/h4-5,8-10,15H,2-3,6-7H2,1H3
• InChIKey: PRPKYHQDQVKKDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-hydroxy-N-methylbenzamide
• IUPAC Traditional name: N-cyclopentyl-2-hydroxy-N-methylbenzamide
• Synonyms: N-cyclopentyl-2-hydroxy-N-methylbenzamide

Database IDs

• MDL Number: MFCD11618599
• PubChem SID: 164318528
• PubChem CID: 43243152

CALCULATED PROPERTIES

• Acid pKa: 8.17618
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9714663
• LogD (pH = 7.4): 2.9056675
• Log P: 2.9723747
• Molar Refractivity: 63.3239 cm^3
• Polarizability: 24.084536 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 74°C
• Hydrophobicity(logP): 1.953

Product Information

• Purity: 95%