N-(2-methylpropyl)-2-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]acetamide

• ChemBase ID: 222818
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCC(=O)NCC(C)C
• Canonical SMILES: CC(CNC(=O)CNC(=O)Cn1cnc2c(c1=O)cccc2)C
• InChI: InChI=1S/C16H20N4O3/c1-11(2)7-17-14(21)8-18-15(22)9-20-10-19-13-6-4-3-5-12(13)16(20)23/h3-6,10-11H,7-9H2,1-2H3,(H,17,21)(H,18,22)
• InChIKey: SODFUOTUCJOZDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278728
• PubChem CID: 45490498

CALCULATED PROPERTIES

• Acid pKa: 12.387805
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.018983029
• LogD (pH = 7.4): -0.017863741
• Log P: -0.017845444
• Molar Refractivity: 87.1473 cm^3
• Polarizability: 32.17598 Å^3
• Polar Surface Area: 90.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds