Basic information
- Standard SMILES
CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C(F)(F)F)c(OCC2CCCO2)n1- InChIKey
CBCSOQHQCIRMSH-UHFFFAOYSA-N- Molecular formula
- C20H27F3N2O5
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.18720645
Names & identifiers
- Preferred name
- 2-Ethyl-2-{[6-(tetrahydro-furan-2-ylmethoxy)-5-trifluoromethyl-pyridine-2-carbonyl]-amino}-butyric acid ethyl ester
- IUPAC
- ethyl 2-ethyl-2-[[6-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoate
Names & synonyms
2-Ethyl-2-{[6-(tetrahydro-furan-2-ylmethoxy)-5-trifluoromethyl-pyridine-2-carbonyl]-amino}-butyric acid ethyl esterCHEMBL3929723SCHEMBL14152552BDBM210552US9290451, 254
Database identifiers
- PubChem CID
- 71087782
- ChEMBL
CHEMBL3929723
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Related reactions
3 records
Compound notes
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