Basic information
- CAS
53525-88-5- Standard SMILES
COc1cc(C(=O)NC2CCC[C@@H]3CCN(C)C[C@@H]23)cc(OC)c1OC- InChIKey
UYANHVOBUOWDLZ-CWSLVUQWSA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.22055744
Names & identifiers
- Preferred name
- Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4,5-trimethoxy-, (E)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4,5-trimethoxybenzamide
Names & synonyms
53525-88-5BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-3,4,5-TRIMETHOXY-, (E)-RefChem:1078115Isoquinoline, decahydro-2-methyl-8-(3,4,5-trimethoxybenzamido)-, (E)-trans-Decahydro-2-methyl-8-(3,4,5-trimethoxybenzamido) isoquinolinetrans-N-(Decahydro-2-methylisoquinolin-8-yl)-3,4,5-trimethoxybenzamide
Database identifiers
- CAS
53525-88-5- PubChem CID
- 40802
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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