N-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-N-hydroxypentanamide

• ChemBase ID: 200972
• Molecular Formular: C16H20N2O4
• Molecular Mass: 304.341
• Monoisotopic Mass: 304.14230713
• SMILES: N1(C(=O)C(CC1=O)N(C(=O)CCCC)O)Cc1ccccc1
• Canonical SMILES: CCCCC(=O)N(C1CC(=O)N(C1=O)Cc1ccccc1)O
• InChI: InChI=1S/C16H20N2O4/c1-2-3-9-14(19)18(22)13-10-15(20)17(16(13)21)11-12-7-5-4-6-8-12/h4-8,13,22H,2-3,9-11H2,1H3
• InChIKey: FJJDIXCCRRHQNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-N-hydroxypentanamide
• IUPAC Traditional name: N-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-N-hydroxypentanamide

Database IDs

• PubChem SID: 164256882
• PubChem CID: 5131342

CALCULATED PROPERTIES

• Acid pKa: 7.688035
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5351796
• LogD (pH = 7.4): 1.3584485
• Log P: 1.5379754
• Molar Refractivity: 79.8237 cm^3
• Polarizability: 31.1615 Å^3
• Polar Surface Area: 77.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds