Basic information
- CAS
57464-27-4- Standard SMILES
CN1CC[C@H]2CC(NC(=O)c3ccccc3)CC[C@H]2C1- InChIKey
ILRKBPHYFRNEMK-KSCSMHSMSA-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)-, (Z)-
- IUPAC
- N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]benzamide
Names & synonyms
BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)-, (Z)-57464-27-4RefChem:1078108cis-6-Benzamido-2-methyldecahydroisoquinolinecis-N-(Decahydro-2-methylisoquinolin-6-yl)benzamideDTXSID50972980N-(2-Methyldecahydroisoquinolin-6-yl)benzenecarboximidic acidN-[(4aS,8aR)-2-Methyldecahydroisoquinolin-6-yl]benzenecarboximidic acid
Database identifiers
- CAS
57464-27-4- PubChem CID
- 42352
- DTXSID
DTXSID50972980
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
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