N-(2,6-Dimethylphenyl)-5-hydroxy-2,4-dioxopentanamide
Basic information
- CAS
906512-24-1- Standard SMILES
Cc1cccc(C)c1NC(=O)C(=O)CC(=O)CO- InChIKey
XLTCZSPQLPVGFT-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- N-(2,6-Dimethylphenyl)-5-hydroxy-2,4-dioxopentanamide
- IUPAC
- N-(2,6-dimethylphenyl)-5-hydroxy-2,4-dioxopentanamide
Names & synonyms
NSC631846N-(2,6-Dimethylphenyl)-5-hydroxy-2,4-dioxopentanamideCHEMBL1984281DTXSID501216235NSC-631846906512-24-1NCI60_010466N-(2,6-dimethylphenyl)-5-hydroxy-2,4-dioxo-pentanamide
Database identifiers
- CAS
906512-24-1- PubChem CID
- 364960
- DTXSID
DTXSID501216235- ChEMBL
CHEMBL1984281
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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