2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide

C19H20N4O5 — CID 6039314

IUPAC2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide
SMILESCCCC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C19H20N4O5/c1-2-3-9-17(14-7-5-4-6-8-14)20-21-19(24)12-15-10-11-16(22(25)26)13-18(15)23(27)28/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,24)/b20-17+
InChIKeyIDYJJHHQXSHILA-LVZFUZTISA-N
MW384.39 g/mol
LogP3.76
Rot. Bonds9

About 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide

2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide (PubChem CID 6039314) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide
PubChem CID6039314
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide
SMILESCCCC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C19H20N4O5/c1-2-3-9-17(14-7-5-4-6-8-14)20-21-19(24)12-15-10-11-16(22(25)26)13-18(15)23(27)28/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,24)/b20-17+
InChIKeyIDYJJHHQXSHILA-LVZFUZTISA-N
XLogP3.76
TPSA127.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 4189831
3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide
CID 5201298
2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 6053942
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(1-phenylethyl)butanamide
CID 5202497
(3E)-N-tert-butyl-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
CID 46501466
N-(1-phenylpentylideneamino)octanamide
CID 4676930
(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 171980690
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6306782
N-[(E)-(5-chloro-1-phenylpentylidene)amino]-2,4-dinitroaniline
CID 6036510
N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide
CID 9058741
N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3515824

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide?
The IUPAC name of 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide (CID 6039314) is 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide is CCCC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide?
The InChIKey is IDYJJHHQXSHILA-LVZFUZTISA-N. The full InChI is InChI=1S/C19H20N4O5/c1-2-3-9-17(14-7-5-4-6-8-14)20-21-19(24)12-15-10-11-16(22(25)26)13-18(15)23(27)28/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,24)/b20-17+.
What are the key properties of 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide?
2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide has a molecular weight of 384.39 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide is sourced from PubChem (CID 6039314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).