Basic information
- CAS
15451-21-5- Standard SMILES
CN(CC(C)(C)C=O)C(=O)c1ccccc1- InChIKey
YAKWALCQEUSXFG-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- n-(2,2-Dimethyl-3-oxopropyl)-n-methylbenzamide
- IUPAC
- N-(2,2-dimethyl-3-oxopropyl)-N-methylbenzamide
Names & synonyms
15451-21-5n-(2,2-dimethyl-3-oxopropyl)-n-methylbenzamideNSC142620SCHEMBL340978DTXSID00935005NSC-142620DS-006533BENZAMIDE,N-(2,2-DIMETHYL-3-OXOPROPYL)-N-METHYL-
Database identifiers
- CAS
15451-21-5- PubChem CID
- 285607
- DTXSID
DTXSID00935005
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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