Basic information
- CAS
5422-28-6- Standard SMILES
CC(=O)CC(=O)Nc1ccccc1NC(=O)CC(C)=O- InChIKey
ISYMWANHPZRQAP-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- N,N'-(1,2-Phenylene)bis(3-oxobutanamide)
- IUPAC
- 3-oxo-N-[2-(3-oxobutanoylamino)phenyl]butanamide
- English name
- Butanamide, N,N'-1,2-phenylenebis[3-oxo-
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
5422-28-6N,N'-(1,2-Phenylene)bis(3-oxobutanamide)N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)SCHEMBL2912340DTXSID10969194NSC8791NSC-8791Butanamide, N,N'-1,2-phenylenebis[3-oxo-DI(ACETOACET)CYCLOHEXANE-1,2-DIYLDIAMIDE
Database identifiers
- CAS
5422-28-6- PubChem CID
- 222525
- DTXSID
DTXSID10969194
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Chemistry & industry
Suppliers2 total
LONZA-SA[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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