Basic information
- CAS
76751-74-1- Standard SMILES
CCN(CC)CCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1- InChIKey
DJJUPDBEIJRGDO-UHFFFAOYSA-N- Molecular formula
- C26H30N4O3
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.23179083
Names & identifiers
- Preferred name
- Acetanilide, 2'-(o-((2-(diethylamino)ethyl)amino)phenyl)-2-(p-nitrophenyl)-
- IUPAC
- N-[2-[2-[2-(diethylamino)ethylamino]phenyl]phenyl]-2-(4-nitrophenyl)acetamide
- English name
- (p-nitrophenyl)-
- Molecular formula
- C26H31N3O
- Molecular weight
- 401.54
Names & synonyms
76751-74-12'-(o-((2-(Diethylamino)ethyl)amino)phenyl)-2-(p-nitrophenyl)acetanilide2-(N-((p-Nitrophenyl)acetyl)amino)-2'-(N-((diethylamino)ethyl)amino)biphenylACETANILIDE, 2'-(o-((2-(DIETHYLAMINO)ETHYL)AMINO)PHENYL)-2-(p-NITROPHENYL)-RefChem:315681CHEMBL346135DTXSID30998062N-(2'-{[2-(Diethylamino)ethyl]amino}[1,1'-biphenyl]-2-yl)(4-nitrophenyl)ethanimidic acidN-(2'-{[2-(Diethylamino)ethyl]amino}[1,1'-biphenyl]-2-yl)-2-(4-nitrophenyl)ethanimidic acidReaxys ID: 5156377Benzeneacetamide, N-[2'-[[2-(diethylamino)ethyl]amino][1,1'-biphenyl]-2-yl]-
Database identifiers
- CAS
76751-74-1- PubChem CID
- 53528
- DTXSID
DTXSID30998062- ChEMBL
CHEMBL346135
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 599
Physicochemical properties
- Boiling point
- 597.3 · 597.3±50.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 14.76 · 14.76±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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