Basic information
- Standard SMILES
CC(C)CN(CC(C)C)C(=O)c1ccc(NCCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1- InChIKey
WRMBKTNDSBWXDO-UHFFFAOYSA-N- Molecular formula
- C26H38N4O3
- Average molar mass
- 454.6 g/mol
Names & identifiers
- Preferred name
- 4-({3-[benzyl(methyl)amino]propyl}amino)-N,N-diisobutyl-3-nitrobenzamide
- IUPAC
- 4-[3-[benzyl(methyl)amino]propylamino]-N,N-bis(2-methylpropyl)-3-nitrobenzamide
Names & synonyms
SCHEMBL4394229WRMBKTNDSBWXDO-UHFFFAOYSA-N4-({3-[benzyl(methyl)amino]propyl}amino)-N,N-diisobutyl-3-nitrobenzamide
Database identifiers
- PubChem CID
- 69027344
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 577
Related reactions
2 records
Compound notes
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