N-[3-(cyclopropylamino)propyl]-3-methyl-2-nitrobenzamide
Basic information
- CAS
1157045-97-0- Standard SMILES
Cc1cccc(C(=O)NCCCNC2CC2)c1[N+](=O)[O-]- InChIKey
BPDLKSSCNFSUTC-UHFFFAOYSA-N- Molecular formula
- C14H19N3O3
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.14264148
Names & identifiers
- Preferred name
- N-[3-(cyclopropylamino)propyl]-3-methyl-2-nitrobenzamide
- IUPAC
- N-[3-(cyclopropylamino)propyl]-3-methyl-2-nitrobenzamide
Names & synonyms
N-[3-(cyclopropylamino)propyl]-3-methyl-2-nitrobenzamideDTXSID6012010131157045-97-0
Database identifiers
- CAS
1157045-97-0- PubChem CID
- 43596463
- DTXSID
DTXSID601201013
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…