4-hydroxy-N-(2-methoxyethyl)benzamide

• ChemBase ID: 269433
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(c1ccc(cc1)O)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1)O
• InChI: InChI=1S/C10H13NO3/c1-14-7-6-11-10(13)8-2-4-9(12)5-3-8/h2-5,12H,6-7H2,1H3,(H,11,13)
• InChIKey: JJUWASOFYUTABG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 4-hydroxy-N-(2-methoxyethyl)benzamide
• Synonyms: 4-hydroxy-N-(2-methoxyethyl)benzamide

Database IDs

• MDL Number: MFCD11130676
• PubChem SID: 164325343
• PubChem CID: 22890916

CALCULATED PROPERTIES

• Acid pKa: 8.476629
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.696566
• LogD (pH = 7.4): 0.6622958
• Log P: 0.69702137
• Molar Refractivity: 53.0575 cm^3
• Polarizability: 20.003904 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.735

Product Information

• Purity: 95%