Benzamide, N-(decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxy-, trans-
Basic information
- CAS
27460-73-7- Standard SMILES
COc1cc(C(=O)NC2CCC[C@H]3CN(C)CC[C@H]23)cc(OC)c1OC- InChIKey
QZGOPRYNEGQTLA-FVQBIDKESA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.22055744
Names & identifiers
- Preferred name
- Benzamide, N-(decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxy-, trans-
- IUPAC
- N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3,4,5-trimethoxybenzamide
- English name
- M-32
- Molecular formula
- C20H30N2O4
- Molecular weight
- 362.46
Names & synonyms
27460-73-7BENZAMIDE, N-(DECAHYDRO-2-METHYL-5-ISOQUINOLYL)-3,4,5-TRIMETHOXY-, trans-RefChem:1078106N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3,4,5-trimethoxybenzamide5-(3,4,5-Trimethoxybenzamido)-2-methyl-trans-decahydroisoquinolinetrans-N-(2-Methyldecahydroisoquinol-5-yl)-3,4,5-trimethoxybenzamidetrans-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamideBenzamide, N-(2-methyldecahydroisoquinol-5-yl)-3,4,5-trimethoxy-, (E)-trans-9,10-t-5-H-5-(3,4,5-Trimethoxybenzamido)-2-methyldecahydroisoquinolineBenzamide, N-(decahydro-2-methyl-5-isoquinolinyl)-3,4,5-trimethoxy-, (4aα,5α,8aβ)- (9CI)
Database identifiers
- CAS
27460-73-7- PubChem CID
- 33866
Properties
Computed structural properties
- XLogP
- 2.7
- 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
Physicochemical properties
- Boiling point
- 494.07 °C · 494.07°C (rough estimate)
- Density
- 1.1667 · 1.1667 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- pka
- 13.696 · 13.696±0.20(predicted)
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Related reactions
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Compound notes
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