N-(2-hydroxypropyl)acetamide

• ChemBase ID: 243026
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(NCC(O)C)C
• Canonical SMILES: CC(CNC(=O)C)O
• InChI: InChI=1S/C5H11NO2/c1-4(7)3-6-5(2)8/h4,7H,3H2,1-2H3,(H,6,8)
• InChIKey: YKDZEZDQPMEHGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxypropyl)acetamide
• IUPAC Traditional name: N-(2-hydroxypropyl)acetamide
• Synonyms: N-(2-hydroxypropyl)acetamide

Database IDs

• MDL Number: MFCD11934286
• PubChem SID: 164298936
• PubChem CID: 267571

CALCULATED PROPERTIES

• Acid pKa: 15.197336
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0801395
• LogD (pH = 7.4): -1.0801393
• Log P: -1.0801393
• Molar Refractivity: 30.0737 cm^3
• Polarizability: 11.806096 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.096

Product Information

• Purity: 95%