Basic information
- CAS
59953-61-6- Standard SMILES
COC1=CC(=O)C(CC(C)NC(=O)c2ccccc2)=CC1=O- InChIKey
LKIHKKGSNOMFEK-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- N-[1-(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]benzamide
- IUPAC
- N-[1-(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]benzamide
Names & synonyms
59953-61-6N-[1-(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]benzamideNSC290682DTXSID90314986NSC-290682
Database identifiers
- CAS
59953-61-6- PubChem CID
- 324587
- DTXSID
DTXSID90314986
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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