N~1~-(9,10-Dioxo-9,10-dihydroanthracen-2-yl)-N~2~-pentylethanediamide
Basic information
- CAS
100694-10-8- Standard SMILES
CCCCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O- InChIKey
RDAZMXGJRMNIRI-UHFFFAOYSA-N- Molecular formula
- C21H20N2O4
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.14230712
Names & identifiers
- Preferred name
- N~1~-(9,10-Dioxo-9,10-dihydroanthracen-2-yl)-N~2~-pentylethanediamide
- IUPAC
- N'-(9,10-dioxoanthracen-2-yl)-N-pentyloxamide
Names & synonyms
DTXSID60905668N~1~-(9,10-Dioxo-9,10-dihydroanthracen-2-yl)-N~2~-pentylethanediamideRefChem:1093421DTXCID601334771100694-10-8N-(1-Anthraquinonyl)-N'-pentyloxamideOXAMIDE, N-(1-ANTHRAQUINONYL)-N'-PENTYL-Ethanediamide, N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-N'-pentyl-
Database identifiers
- CAS
100694-10-8- PubChem CID
- 57959
- DTXSID
DTXSID60905668
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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