Basic information
- CAS
2080413-48-3- Standard SMILES
COCCn1c(C)cc(C=C(C#N)C(=O)N(C)CC(C)(C)O)c1C- InChIKey
HCOOZLUGZDFCQA-UHFFFAOYSA-N- Molecular formula
- C18H27N3O3
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.20524173
Names & identifiers
- Preferred name
- 2-Propenamide, 2-cyano-N-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-methyl-
- IUPAC
- 2-cyano-N-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-methylprop-2-enamide
Names & synonyms
DTXSID1011077172-Propenamide, 2-cyano-N-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-methyl-2080413-48-3
Database identifiers
- CAS
2080413-48-3- PubChem CID
- 165367341
- DTXSID
DTXSID101107717
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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