Basic information
- Standard SMILES
CC(C)(C)c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O- InChIKey
INXDQKJHQRWWPG-UHFFFAOYSA-N- Molecular formula
- C22H28N2O4
- Average molar mass
- 384.5 g/mol
Names & identifiers
- Preferred name
- 3,5-bis-(1,1-dimethylethyl)-4-hydroxy-N-[(4-nitrophenyl)methyl]-benzamide
- IUPAC
- 3,5-ditert-butyl-4-hydroxy-N-[(4-nitrophenyl)methyl]benzamide
Names & synonyms
SCHEMBL4316409INXDQKJHQRWWPG-UHFFFAOYSA-N3,5-bis-(1,1-dimethylethyl)-4-hydroxy-N-[(4-nitrophenyl)methyl]-benzamide3,5-bis-(1,1 -dimethylethyl)-4-hydroxy-N-[(4-nitrophenyl)methyl]-benzamide3,5-bis-(1,1,-dimethylethyl)-4-hydroxy-n-[(4-nitrophenyl)methyl]-benzamide3,5-bis-(1,1-dimethylethyl)-4-hydroxy-N-[(4-nitrophenyl)methyl]- benzamide
Database identifiers
- PubChem CID
- 21918554
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 526
Related reactions
57 records
Compound notes
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