N-(3,5-dinitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
Basic information
- CAS
135241-50-8- Standard SMILES
CC(C)Cc1ccc(C(C)C(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1- InChIKey
ATVSJMJKALBHBL-UHFFFAOYSA-N- Molecular formula
- C19H21N3O5
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.14812078
Names & identifiers
- Preferred name
- N-(3,5-dinitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
- IUPAC
- N-(3,5-dinitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
Names & synonyms
N-(3,5-dinitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamideATVSJMJKALBHBL-UHFFFAOYSA-NDTXSID301337445135241-50-8N-(3,5-Dinitrophenyl)-2-(4-isobutylphenyl)propanamide #Propanamide, 2-(4-isobutylphenyl)-N-(3,5-dinitrophenyl)-
Database identifiers
- CAS
135241-50-8- PubChem CID
- 595158
- DTXSID
DTXSID301337445- Nikkaji
- J827.880F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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