4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
Basic information
- CAS
101354-47-6- Standard SMILES
CC(C)(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
OACGEWWFPVXRGO-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
- IUPAC
- 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
Names & synonyms
101354-47-64-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide4-Nitro-N-(tert-octyl)benzamideBenzamide, 4-nitro-N-(1,1,3,3-tetramethylbutyl)-4-NITRO-N-(1,1,3,3-TETRAMETHYLBUTYL)BENZAMIDEOprea1_013825SCHEMBL689308DTXSID90351336OACGEWWFPVXRGO-UHFFFAOYSA-NCCG-1429STK159512AKOS001022185
Show more names
ST50720992SR-01000645390-1Z56755125(4-nitrophenyl)-N-(1,1,3,3-tetramethylbutyl)carboxamide
Database identifiers
- CAS
101354-47-6- PubChem CID
- 698029
- DTXSID
DTXSID90351336
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
7 records
Compound notes
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