Basic information
- CAS
53525-86-3- Standard SMILES
COc1ccc(C(=O)NC2CCC[C@@H]3CCN(C)C[C@@H]23)cc1OC- InChIKey
BXGJICGWWAZXKR-CWSLVUQWSA-N- Molecular formula
- C19H28N2O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.20999276
Names & identifiers
- Preferred name
- Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dimethoxy-, (trans)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4-dimethoxybenzamide
Names & synonyms
53525-86-3BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-3,4-DIMETHOXY-, (trans)-RefChem:1078118trans-Decahydro-8-(3,4-dimethoxybenzamido)-2-methylisoquinolineIsoquinoline, decahydro-8-(3,4-dimethoxybenzamido)-2-methyl-, (E)-trans-N-(Decahydro-2-methylisoquinolin-8-yl)-3,4-dimethoxybenzamide
Database identifiers
- CAS
53525-86-3- PubChem CID
- 40801
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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