Basic information
- Standard SMILES
CCC(C)(C)Nc1c(NCc2c(C)cc(C)cc2C)c(=O)c1=O- InChIKey
FMDFTVNYSYNXED-UHFFFAOYSA-N- Molecular formula
- C19H26N2O2
- Average molar mass
- 314.4 g/mol
Names & identifiers
- Preferred name
- 3-(1,1-Dimethyl-propylamino)-4-(2,4,6-trimethyl-benzylamino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-(2-methylbutan-2-ylamino)-4-[(2,4,6-trimethylphenyl)methylamino]cyclobut-3-ene-1,2-dione
Names & synonyms
CHEMBL283581SCHEMBL7887027FMDFTVNYSYNXED-UHFFFAOYSA-N3-(1,1-Dimethyl-propylamino)-4-(2,4,6-trimethyl-benzylamino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 10495490
- ChEMBL
CHEMBL283581
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
Loading…