Basic information
- Standard SMILES
CCOc1c(NC(C)(C)CC)c(=O)c1=O- InChIKey
OKKGGLMPYHUFDT-UHFFFAOYSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
Names & identifiers
- Preferred name
- 3-Ethoxy-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-ethoxy-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL7599517OKKGGLMPYHUFDT-UHFFFAOYSA-NAKOS002024640CCG-183930202521-88-8DB-2829183-Cyclobutene-1,2-dione, 3-[(1,1-dimethylpropyl)amino]-4-ethoxy-3-ethoxy-4-(1,1 -dimethyl-propylamino)-cyclobut-3-ene- 1,2-dione3-Ethoxy-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 17819403
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 329
Related reactions
5 records
Compound notes
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