Basic information
- CAS
53525-90-9- Standard SMILES
CN1CC[C@H]2CCCC(NC(=O)c3ccccc3)[C@@H]2C1- InChIKey
IJCPGHZBVADIGP-CWSLVUQWSA-N- Molecular formula
- C17H24N2O
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.18886339
Names & identifiers
- Preferred name
- Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-, (E)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]benzamide
Names & synonyms
53525-90-9BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-, (E)-RefChem:1078112trans-Decahydro-8-benzamido-2-methylisoquinolineIsoquinoline, decahydro-8-benzamido-2-methyl-, (E)-trans-N-(Decahydro-2-methylisoquinolin-8-yl)benzamide
Database identifiers
- CAS
53525-90-9- PubChem CID
- 40803
Properties
Computed structural properties
- XLogP
- 3
- 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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