N-cyclohexyl-4-methoxy-3-nitrobenzamide
Basic information
- CAS
328259-59-2- Standard SMILES
COc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-]- InChIKey
OCIHBYSAJKPYSI-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.12665706
Names & identifiers
- Preferred name
- N-cyclohexyl-4-methoxy-3-nitrobenzamide
- IUPAC
- N-cyclohexyl-4-methoxy-3-nitrobenzamide
- English name
- N-Cyclohexyl-4-methoxy-3-nitrobenzamide
- Molecular formula
- C14H18N2O4
- Molecular weight
- 278.3
Names & synonyms
N-cyclohexyl-4-methoxy-3-nitrobenzamideOprea1_052950Oprea1_234707STK029152AKOS000678084N-cyclohexyl-3-nitro-4-methoxybenzamideST011265N-cyclohexyl(4-methoxy-3-nitrophenyl)carboxamideAK-968/11493970SR-01000316076SR-01000316076-1Z31484708
Show more names
Benzamide, N-cyclohexyl-4-methoxy-3-nitro-
Database identifiers
- CAS
328259-59-2- PubChem CID
- 711599
- EC Number
- 140-883-0
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 453.563 · 453.563±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.235 · 1.235±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.143 · 13.143±0.20(predicted)
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Compound notes
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