Basic information
- Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)Nc2cccc(OCc3ccccc3)c2)cc1- InChIKey
GPXMYISWXZECOQ-UHFFFAOYSA-N- Molecular formula
- C31H29N3O5
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.21072103
Names & identifiers
- Preferred name
- n-(3-Benzyloxyphenyl)-2-[(4-tert-butylbenzoyl)amino]-4-nitrobenzamide
- IUPAC
- 2-[(4-tert-butylbenzoyl)amino]-4-nitro-N-(3-phenylmethoxyphenyl)benzamide
Names & synonyms
SCHEMBL5227077GPXMYISWXZECOQ-UHFFFAOYSA-Nn-(3-benzyloxyphenyl)-2-[(4-tert-butylbenzoyl)amino]-4-nitrobenzamide
Database identifiers
- PubChem CID
- 18174593
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 823
Related reactions
2 records
Compound notes
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