Basic information
- Standard SMILES
CCCCC(=O)Nc1c(OC)cccc1[N+](=O)[O-]- InChIKey
HZSDHSLKKLUZRR-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- N-(2-Methoxy-6-nitrophenyl)valeroamide
- IUPAC
- N-(2-methoxy-6-nitrophenyl)pentanamide
Names & synonyms
N-(2-Methoxy-6-nitrophenyl)valeroamideSCHEMBL9192883HZSDHSLKKLUZRR-UHFFFAOYSA-NN-(2-methoxy-6-nitrophenyl)valeramide
Database identifiers
- PubChem CID
- 19792196
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
5 records
Compound notes
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