Basic information
- Standard SMILES
CCC(=O)NC1C(=O)Nc2ccccc2NC1=O- InChIKey
CVAKQIICHIJNII-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- N-(2,4-Dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazapin-3-yl)-propionamide
- IUPAC
- N-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide
Names & synonyms
SCHEMBL4879452CVAKQIICHIJNII-UHFFFAOYSA-NN-(2,4-Dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazapin-3-yl)-propionamide
Database identifiers
- PubChem CID
- 58860686
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Related reactions
2 records
Compound notes
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