Carbamic acid, (1,1-dimethylethyl)-, 3-[(1-oxo-2-butenyl)amino]phenyl ester
Basic information
- CAS
17838-05-0- Standard SMILES
CC=CC(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1- InChIKey
PEEKCTXVTSQPFG-UHFFFAOYSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Names & identifiers
- Preferred name
- Carbamic acid, (1,1-dimethylethyl)-, 3-[(1-oxo-2-butenyl)amino]phenyl ester
- IUPAC
- [3-(but-2-enoylamino)phenyl] N-tert-butylcarbamate
Names & synonyms
NSC-2225245CHP5NL3DGN-tert-Butylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl esterCarbamic acid, (1,1-dimethylethyl)-, 3-[(1-oxo-2-butenyl)amino]phenyl esterCarbamic acid, tert-butyl-, ester with 3'-hydroxycrotonanilide
Database identifiers
- CAS
17838-05-0- PubChem CID
- 28807
- UNII
- 5CHP5NL3DG
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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