N-[4-(2-hydroxyethoxy)phenyl]acetamide

• ChemBase ID: 51227
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(Nc1ccc(cc1)OCCO)C
• Canonical SMILES: OCCOc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C10H13NO3/c1-8(13)11-9-2-4-10(5-3-9)14-7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)
• InChIKey: PVKHXJDOHVTKKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-hydroxyethoxy)phenyl]acetamide
• IUPAC Traditional name: N-[4-(2-hydroxyethoxy)phenyl]acetamide
• Synonyms: N-[4-(Hydroxyethoxy)phenyl]ethanamide

Database IDs

• CAS Number: 50375-15-0
• MDL Number: MFCD00020595
• PubChem SID: 162055990
• PubChem CID: 170834

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.730217
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3631829
• LogD (pH = 7.4): 0.36318287
• Log P: 0.3631829
• Molar Refractivity: 53.6765 cm^3
• Polarizability: 20.202646 Å^3
• Polar Surface Area: 58.56 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%