N-(5-(Diethylamino)-1-phenylpentyl)-4-nitrobenzamide
Basic information
- CAS
157832-55-8- Standard SMILES
CCN(CC)CCCCC(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
YRFYIORBFFGPPZ-UHFFFAOYSA-N- Molecular formula
- C22H29N3O3
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.2208918
Names & identifiers
- Preferred name
- N-(5-(Diethylamino)-1-phenylpentyl)-4-nitrobenzamide
- IUPAC
- N-[5-(diethylamino)-1-phenylpentyl]-4-nitrobenzamide
- English name
- nibentan
- Molecular formula
- C22H29N3O3
- Molecular weight
- 383.48
Names & synonyms
Nibentan free baseVX89CRM39A157832-55-8N-[5-(diethylamino)-1-phenylpentyl]-4-nitrobenzamideN-(5-(Diethylamino)-1-phenylpentyl)-4-nitrobenzamideBenzamide, N-(5-(diethylamino)-1-phenylpentyl)-4-nitro-RefChem:202022UNII-VX89CRM39ASCHEMBL9571831CHEMBL4303576STL069536AKOS005689180
Show more names
nibentanBenzamide, N-[5-(diethylamino)-1-phenylpentyl]-4-nitro-
BRD-A85876464-001-01-5
Database identifiers
- CAS
157832-55-8- PubChem CID
- 177906
- ChEMBL
CHEMBL4303576- UNII
- VX89CRM39A
- Nikkaji
- J858.999B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 577.3 · 577.3±50.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- pka
- 12.62 · 12.62±0.46(Predicted)
- FDA UNII
- 89 CRM39A · VX89CRM39A
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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