Propionamide, N-((1,6-dimethyl-8-beta-ergolinyl)methyl)-2-methyl-
Basic information
- CAS
2394-77-6- Standard SMILES
CC(C)C(=O)NC[C@@H]1CC2c3cccc4c3c(cn4C)C[C@H]2N(C)C1- InChIKey
XLAFTMYBZIKQER-AHMQINRISA-N- Molecular formula
- C21H29N3O
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.23106256
Names & identifiers
- Preferred name
- Propionamide, N-((1,6-dimethyl-8-beta-ergolinyl)methyl)-2-methyl-
- IUPAC
- N-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]-2-methylpropanamide
Names & synonyms
BRN 0706832N-((1,6-Dimethyl-8-beta-ergolinyl)methyl)-2-methylpropionamide2394-77-6Propionamide, N-((1,6-dimethyl-8-beta-ergolinyl)methyl)-2-methyl-RefChem:374965DTXSID50946762N-[(1,6-Dimethylergolin-8-yl)methyl]-2-methylpropanimidic acidN-{[(10xi)-1,6-Dimethylergolin-8beta-yl]methyl}-2-methylpropanimidic acid
Database identifiers
- CAS
2394-77-6- PubChem CID
- 200630
- DTXSID
DTXSID50946762
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 507
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Compound notes
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