Basic information
- Standard SMILES
CC(=O)C(C)C(=O)Nc1ccccc1- InChIKey
RNZCXQSXXMSWPG-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Methylacetoacetanilide
- IUPAC
- 2-methyl-3-oxo-N-phenylbutanamide
Names & synonyms
RefChem:9100822-Methylacetoacetanilide2-methyl-3-oxo-N-phenylbutanamideSCHEMBL4668132RNZCXQSXXMSWPG-UHFFFAOYSA-NAKOS024438177Butanamide, 2-methyl-3-oxo-N-phenyl-
Database identifiers
- PubChem CID
- 10877955
- Nikkaji
- J626.033K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
1 records
Linked notes
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