Basic information
- CAS
72469-14-8- Standard SMILES
COc1ccc(C(=O)NC2CCC[C@@H]3CN(C)CC[C@@H]23)cc1- InChIKey
IBOKCPCSTRHEMU-IYNBXCLQSA-N- Molecular formula
- C18H26N2O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.19942808
Names & identifiers
- Preferred name
- Benzamide, 4-methoxy-N-(2-methyldecahydroisoquinol-5-yl)-, (E)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-methoxybenzamide
Names & synonyms
72469-14-8BENZAMIDE, 4-METHOXY-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-RefChem:1078005trans-4-Methoxy-N-(2-methyldecahydroisoquinol-5-yl)benzamideDTXSID209932834-methoxy-N-(2-methyldecahydroisoquinolin-5-yl)benzamide4-Methoxy-N-[(4aR,8aS)-2-methyldecahydroisoquinolin-5-yl]benzamide
Database identifiers
- CAS
72469-14-8- PubChem CID
- 51596
- DTXSID
DTXSID20993283
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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