Basic information
- CAS
17788-86-2- Standard SMILES
CC=CC(=O)Nc1cccc(OC(=O)NC(C)C)c1- InChIKey
JFGQTRRCWGNSKV-UHFFFAOYSA-N- Molecular formula
- C14H18N2O3
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.13174244
Names & identifiers
- Preferred name
- N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester
- IUPAC
- [3-(but-2-enoylamino)phenyl] N-propan-2-ylcarbamate
Names & synonyms
NSC-222513L3A93DR6SCorb1986244[3-(But-2-enoylamino)phenyl]n-propan-2-ylcarbamateN-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl esterCarbamic acid, (1-methylethyl)-, 3-[(1-oxo-2-butenyl)amino]phenyl ester
Database identifiers
- CAS
17788-86-2- PubChem CID
- 28772
- UNII
- L3A93DR6SC
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
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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