Metabolite N-acetyl-lenalidomide
- Name
- N-acetyl-lenalidomide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- NJV98AX5KE
- CAS number
- Not Available
- Weight
- Average: 301.302
Monoisotopic: 301.106255975 - Chemical Formula
- C15H15N3O4
- InChI Key
- IUJSAVPLRWRWOF-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H15N3O4/c1-8(19)16-11-4-2-3-9-10(11)7-18(15(9)22)12-5-6-13(20)17-14(12)21/h2-4,12H,5-7H2,1H3,(H,16,19)(H,17,20,21)
- IUPAC Name
- N-[2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]acetamide
- SMILES
- CC(=O)NC1=CC=CC2=C1CN(C1CCC(O)=NC1=O)C2=O
- Reactions
- Lenalidomide N-acetyl-lenalidomide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 166.06415 predictedDeepCCS 1.0 (2019) [M+H]+ 168.42215 predictedDeepCCS 1.0 (2019) [M+Na]+ 174.5153 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 67485204
- Predicted Properties
Property Value Source logP -0.27 Chemaxon pKa (Strongest Acidic) 2.79 Chemaxon pKa (Strongest Basic) -1.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.07 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 78.78 m3·mol-1 Chemaxon Polarizability 29.76 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon