Ethyl 3-[2-(tert-butoxycarbonylaminomethyl)phenyl]pyridine-2-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1ncccc1-c1ccccc1CNC(=O)OC(C)(C)C- InChIKey
CRUHPFHHHQGPFJ-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.17360725
Names & identifiers
- Preferred name
- Ethyl 3-[2-(tert-butoxycarbonylaminomethyl)phenyl]pyridine-2-carboxylate
- IUPAC
- ethyl 3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylate
Names & synonyms
SCHEMBL6756990CRUHPFHHHQGPFJ-UHFFFAOYSA-NEthyl 3-[2-(tert-butoxycarbonylaminomethyl)phenyl]pyridine-2-carboxylate
Database identifiers
- PubChem CID
- 12017232
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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