Methyl 3-{[4-(acetylamino)phenyl]amino}but-2-enoate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)C=C(C)Nc1ccc(NC(C)=O)cc1- InChIKey
WANPDXWQIWPKQO-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
Names & identifiers
- Preferred name
- Methyl 3-{[4-(acetylamino)phenyl]amino}but-2-enoate
- IUPAC
- methyl 3-(4-acetamidoanilino)but-2-enoate
Names & synonyms
methyl 3-{[4-(acetylamino)phenyl]amino}but-2-enoateSCHEMBL3737335WANPDXWQIWPKQO-UHFFFAOYSA-NMethyl3-{[4-(acetylamino)phenyl]amino}but-2-enoate
Database identifiers
- PubChem CID
- 284013
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
6 records
Compound notes
Loading…