Basic information
- CAS
57464-28-5- Standard SMILES
CN1CC[C@@H]2CC(NC(=O)c3ccccc3)CC[C@H]2C1- InChIKey
ILRKBPHYFRNEMK-YSPPHNQVSA-N- Molecular formula
- C17H24N2O
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.18886339
Names & identifiers
- Preferred name
- Benzamide, N-(decahydro-2-methylisoquinolin-6-yl)-, (E)-
- IUPAC
- N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]benzamide
Names & synonyms
57464-28-5BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)-, (E)-RefChem:1078107trans-6-Benzamido-2-methyldecahydroisoquinolinetrans-N-(Decahydro-2-methylisoquinolin-6-yl)benzamide
Database identifiers
- CAS
57464-28-5- PubChem CID
- 42353
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…