Benzamide, N-(decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxy-, cis-
Basic information
- CAS
19590-85-3- Standard SMILES
COc1cc(C(=O)NC2CCC[C@H]3CN(C)CC[C@@H]23)cc(OC)c1OC- InChIKey
QZGOPRYNEGQTLA-GVJPCGBOSA-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-, cis-
- IUPAC
- N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3,4,5-trimethoxybenzamide
Names & synonyms
19590-85-3BENZAMIDE, N-(DECAHYDRO-2-METHYL-5-ISOQUINOLYL)-3,4,5-TRIMETHOXY-, cis-RefChem:1078105N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3,4,5-trimethoxybenzamideDTXSID10941359cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamidecis-5,9,10-H-5-(3,4,5-Trimethoxybenzamido)-2-methyldecahydroisoquinoline3,4,5-Trimethoxy-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid3,4,5-Trimethoxy-N-[(4aR,8aR)-2-methyldecahydroisoquinolin-5-yl]benzene-1-carboximidic acid
Database identifiers
- CAS
19590-85-3- PubChem CID
- 29676
- DTXSID
DTXSID10941359
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
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Related reactions
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Compound notes
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