Basic information
- CAS
83407-81-2- Standard SMILES
COc1ccc(NC(=O)N2CC3CCN2CC3)cc1- InChIKey
NENCIZMGBGGAAR-UHFFFAOYSA-N- Molecular formula
- C14H19N3O2
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.14772686
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-1,2-diazabicyclo[2.2.2]octane-2-carboxamide
- IUPAC
- N-(4-methoxyphenyl)-1,2-diazabicyclo[2.2.2]octane-2-carboxamide
Names & synonyms
NSC36533583407-81-2N-(4-methoxyphenyl)-1,2-diazabicyclo[2.2.2]octane-2-carboxamideDTXSID00320836NSC-365335DS-001912N-(4-methoxyphenyl)-1,7-diazabicyclo[2.2.2]octane-7-carboxamide
Database identifiers
- CAS
83407-81-2- PubChem CID
- 339282
- DTXSID
DTXSID00320836
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…