Basic information
- CAS
380643-16-3- Standard SMILES
O=C(NN1C(=O)C2CCCCC2C1=O)c1ccco1- InChIKey
PLIFTYKRJPCIJM-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)furan-2-carboxamide
- IUPAC
- N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)furan-2-carboxamide
Names & synonyms
380643-16-3N-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-furamideN-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)furan-2-carboxamideN-(1,3-dioxooctahydro-2H-isoindol-2-yl)furan-2-carboxamideMLS000767945CHEMBL1872026DTXSID301330920HMS2782C03STL300948AKOS022136143SMR000431267AE-848/11736418
Show more names
Furan-2-carboxylic acid (1,3-dioxo-octahydro-isoindol-2-yl)-amideN-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)furan-2-carboxamide
Database identifiers
- CAS
380643-16-3- PubChem CID
- 3742018
- DTXSID
DTXSID301330920- ChEMBL
CHEMBL1872026
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Experimental & physicochemical properties
Solubility34.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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