N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide

• ChemBase ID: 251092
• Molecular Formular: C16H17NO5
• Molecular Mass: 303.30988
• Monoisotopic Mass: 303.11067265
• SMILES: C(=O)(c1cc(c(c(c1)OC)OC)OC)Nc1ccc(cc1)O
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Nc1ccc(cc1)O
• InChI: InChI=1S/C16H17NO5/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)17-11-4-6-12(18)7-5-11/h4-9,18H,1-3H3,(H,17,19)
• InChIKey: PZIHJGHUNPWCFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide
• Synonyms: N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide

Database IDs

• PubChem SID: 164307002
• PubChem CID: 769317

CALCULATED PROPERTIES

• Acid pKa: 9.437329
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.2885017
• LogD (pH = 7.4): 2.2846084
• Log P: 2.2885516
• Molar Refractivity: 82.962 cm^3
• Polarizability: 31.12249 Å^3
• Polar Surface Area: 77.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.468

Product Information

• Purity: 95%