N-[1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
Basic information
- CAS
445001-12-7- Standard SMILES
CCC(CC)C(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1- InChIKey
FUEKZNAQIOWVHD-UHFFFAOYSA-N- Molecular formula
- C22H26N4O4
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.19540532
Names & identifiers
- Preferred name
- N-[1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
- IUPAC
- N-[1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
- English name
- 2-ethyl-N-[3-(N-{3-nitro-4-methylbenzoyl}ethanehydrazonoyl)phenyl]butanamide
- Molecular formula
- C22H26N4O4
- Molecular weight
- 410.47
Names & synonyms
2-ethyl-N-[3-(N-{3-nitro-4-methylbenzoyl}ethanehydrazonoyl)phenyl]butanamide
Database identifiers
- CAS
445001-12-7- PubChem CID
- 1008915
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- Density
- 1.207 · 1.207±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.23 · 11.230±0.46(predicted)
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Compound notes
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