2-hydroxy-3-methoxy-N,N-dimethylbenzamide

• ChemBase ID: 259744
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: c1(C(=O)N(C)C)c(c(OC)ccc1)O
• Canonical SMILES: COc1cccc(c1O)C(=O)N(C)C
• InChI: InChI=1S/C10H13NO3/c1-11(2)10(13)7-5-4-6-8(14-3)9(7)12/h4-6,12H,1-3H3
• InChIKey: BKQNOAAILVLWBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-3-methoxy-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-hydroxy-3-methoxy-N,N-dimethylbenzamide
• Synonyms: 2-hydroxy-3-methoxy-N,N-dimethylbenzamide

Database IDs

• MDL Number: MFCD11131093
• PubChem SID: 164315654
• PubChem CID: 28394605

CALCULATED PROPERTIES

• Acid pKa: 8.7217245
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4597431
• LogD (pH = 7.4): 1.4399409
• Log P: 1.4600017
• Molar Refractivity: 53.3739 cm^3
• Polarizability: 19.99221 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.303

Product Information

• Purity: 95%