Basic information
- CAS
23614-19-9- Standard SMILES
CCCCCCOC(=O)c1ccccc1NC(=O)NN1CCCCCC1- InChIKey
FOEDPKRIJQXRAZ-UHFFFAOYSA-N- Molecular formula
- C20H31N3O3
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.23654186
Names & identifiers
- Preferred name
- Hexyl 2-(azepan-1-ylcarbamoylamino)benzoate
- IUPAC
- hexyl 2-(azepan-1-ylcarbamoylamino)benzoate
Names & synonyms
23614-19-9hexyl 2-(azepan-1-ylcarbamoylamino)benzoateNSC357910DTXSID10320322NSC-357910HEXYL 2-{[(AZEPAN-1-YL)CARBAMOYL]AMINO}BENZOATE
Database identifiers
- CAS
23614-19-9- PubChem CID
- 337900
- DTXSID
DTXSID10320322
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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