Propanamide, 3-amino-N-[2-(3,4-dioxo-1,5-cyclohexadien-1-yl)ethyl]-
Basic information
- CAS
87838-85-5- Standard SMILES
NCCC(=O)NCCC1=CC(=O)C(=O)C=C1- InChIKey
JHIWMWSXOPCOKH-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- Propanamide, 3-amino-N-[2-(3,4-dioxo-1,5-cyclohexadien-1-yl)ethyl]-
- IUPAC
- 3-amino-N-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]propanamide
Names & synonyms
87838-85-5Propanamide, 3-amino-N-[2-(3,4-dioxo-1,5-cyclohexadien-1-yl)ethyl]-DTXSID50443100N-[2-(3,4-Dioxocyclohexa-1,5-dien-1-yl)ethyl]-beta-alaninamide
Database identifiers
- CAS
87838-85-5- PubChem CID
- 10656641
- DTXSID
DTXSID50443100- Nikkaji
- J948.831F
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…