Acetamide, N-(1-(6-methyl-8-beta-ergolinyl)ethyl)-
Basic information
- CAS
16409-69-1- Standard SMILES
CC(=O)N[C@H](C)[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1- InChIKey
WDQSJGDAELMXJW-QTLUUVLJSA-N- Molecular formula
- C19H25N3O
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.19976243
Names & identifiers
- Preferred name
- Acetamide, N-(1-(6-methyl-8-beta-ergolinyl)ethyl)-
- IUPAC
- N-[(1R)-1-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]ethyl]acetamide
Names & synonyms
BRN 0762352N-(1-(6-Methyl-8-beta-ergolinyl)ethyl)acetamide16409-69-1Acetamide, N-(1-(6-methyl-8-beta-ergolinyl)ethyl)-RefChem:314908DTXSID90936905N-[1-(6-Methylergolin-8-yl)ethyl]ethanimidic acidN-{(1R)-1-[(10xi)-6-Methylergolin-8beta-yl]ethyl}ethanimidic acid
Database identifiers
- CAS
16409-69-1- PubChem CID
- 5492986
- DTXSID
DTXSID90936905
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
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Compound notes
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