Basic information
- CAS
40528-26-5- Standard SMILES
CCCCCNC(=O)C(=O)Nc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
DPCLVIITUWQPLU-UHFFFAOYSA-N- Molecular formula
- C25H29N5O4
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.22195442
Names & identifiers
- Preferred name
- Ethanediamide, N-(2-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-N'-pentyl-
- IUPAC
- N'-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-N-pentyloxamide
Names & synonyms
BRN 073049740528-26-5Ethanediamide, N-(2-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-N'-pentyl-RefChem:340068DTXSID70960940N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[2-oxo(pentylamino)acetamido]benzene-1-carboximidic acidN-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[2-oxo-2-(pentylamino)acetamido]benzene-1-carboximidic acid
Database identifiers
- CAS
40528-26-5- PubChem CID
- 218375
- DTXSID
DTXSID70960940
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 805
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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