N-(2,5-dimethylphenyl)-3-oxobutanamide
Basic information
- CAS
3785-25-9- Standard SMILES
CC(=O)CC(=O)Nc1cc(C)ccc1C- InChIKey
RYPZJWMUMBWFHP-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- N-(2,5-dimethylphenyl)-3-oxobutanamide
- IUPAC
- N-(2,5-dimethylphenyl)-3-oxobutanamide
- English name
- ACETOACET-P-XYLIDIDE
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
N-(2,5-dimethylphenyl)-3-oxobutanamide3785-25-9NSC 141190ACETOACET-P-XYLIDIDE2,5-Acetoacetoxylidide2',5'-AcetoacetoxylidideC.I. 37611CBMicro_044913SCHEMBL1577190DTXSID70301112RYPZJWMUMBWFHP-UHFFFAOYSA-NC.I. Azoic Coupling Component 42
Show more names
C.I.37611Azoic CC 42Naphtol AS-AGAzoic Coupling Component 42C.I.Azoic Coupling Component 422'',5''-DIMETHYLACETOACETANILIDEN-(2,5-Dimethylphenyl)acetylacetamide
Butanamide,5-dimethylphenyl)-3-oxo-NSC141190STL090834AKOS000166172NSC-141190BIM-0044993.P001Butanamide,n-(2,5-dimethylphenyl)-3-oxo-DS-010547
Database identifiers
- CAS
3785-25-9- PubChem CID
- 284876
- DTXSID
DTXSID70301112- EC Number
- 609-483-8
- Nikkaji
- J153.407F
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
- 15
- Formal charge
- 0
- Complexity
- 250
Chemistry & industry
Preparation methods
Preparation2,5-Dimethylbenzenamineand 4-Methyleneoxetan2-onebonus.
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
Loading…