N-(2-hydroxyphenyl)-2-[2-(2-methylpropyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-3-yl]acetamide

• ChemBase ID: 224431
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: N1(C(=O)c2c(NC1CC(C)C)cccc2)CC(=O)Nc1c(O)cccc1
• Canonical SMILES: CC(CC1Nc2ccccc2C(=O)N1CC(=O)Nc1ccccc1O)C
• InChI: InChI=1S/C20H23N3O3/c1-13(2)11-18-21-15-8-4-3-7-14(15)20(26)23(18)12-19(25)22-16-9-5-6-10-17(16)24/h3-10,13,18,21,24H,11-12H2,1-2H3,(H,22,25)
• InChIKey: NUJJUUBDGNMEPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyphenyl)-2-[2-(2-methylpropyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-3-yl]acetamide
• IUPAC Traditional name: N-(2-hydroxyphenyl)-2-[2-(2-methylpropyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

Database IDs

• PubChem SID: 164280341
• PubChem CID: 51052376

CALCULATED PROPERTIES

• Acid pKa: 8.775846
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 3.5390546
• LogD (pH = 7.4): 3.521521
• Log P: 3.539306
• Molar Refractivity: 102.7676 cm^3
• Polarizability: 37.8635 Å^3
• Polar Surface Area: 81.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds