Basic information
- Standard SMILES
CCc1cc(C#N)ccc1N(C(C)=O)c1c(N[C@H](C)C(C)(C)C)c(=O)c1=O- InChIKey
YLIXJJZIKSCTMG-GFCCVEGCSA-N- Molecular formula
- C21H25N3O3
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.18959167
Names & identifiers
- Preferred name
- (R)-(-)-N-(4-Cyano-2-ethyl-phenyl)-N-[3,4-dioxo-2-(1,2,2-trimethyl-propylamino)-cyclobut-1-enyl]-acetamide
- IUPAC
- N-(4-cyano-2-ethylphenyl)-N-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]acetamide
Names & synonyms
SCHEMBL8370813YLIXJJZIKSCTMG-GFCCVEGCSA-N(R)-(-)-N-(4-Cyano-2-ethyl-phenyl)-N-[3,4-dioxo-2-(1,2,2-trimethyl-propylamino)-cyclobut-1-enyl]-acetamide
Database identifiers
- PubChem CID
- 54514347
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 723
Related reactions
1 records
Compound notes
Loading…