Ethanediamide, N-(2-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-N'-methyl-
Basic information
- CAS
40528-23-2- Standard SMILES
CNC(=O)C(=O)Nc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
JBODHDJYTNYJRQ-UHFFFAOYSA-N- Molecular formula
- C21H21N5O4
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.15935417
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'-methyl-
- IUPAC
- N'-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-N-methyloxamide
Names & synonyms
BRN 072581240528-23-2Ethanediamide, N-(2-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-N'-methyl-RefChem:340067DTXSID40960937N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[2-(methylamino)(oxo)acetamido]benzene-1-carboximidic acidN-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[2-(methylamino)-2-oxoacetamido]benzene-1-carboximidic acid
Database identifiers
- CAS
40528-23-2- PubChem CID
- 218372
- DTXSID
DTXSID40960937
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 744
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Compound notes
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