N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide

C17H16N4O4 — CID 5050166

IUPACN-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O4/c1-2-13-7-3-4-9-15(13)19-16(22)17(23)20-18-11-12-6-5-8-14(10-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)
InChIKeyBWFBUMZIWODGBN-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.25
Rot. Bonds5

About N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide

N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide (PubChem CID 5050166) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
PubChem CID5050166
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O4/c1-2-13-7-3-4-9-15(13)19-16(22)17(23)20-18-11-12-6-5-8-14(10-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)
InChIKeyBWFBUMZIWODGBN-UHFFFAOYSA-N
XLogP2.25
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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

N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 6010711
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610
N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 3528185
N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1326817
N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 6017944
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 40531263
N-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide (CID 5050166) is N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide is CCc1ccccc1NC(=O)C(=O)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The InChIKey is BWFBUMZIWODGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-2-13-7-3-4-9-15(13)19-16(22)17(23)20-18-11-12-6-5-8-14(10-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide has a molecular weight of 340.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 5050166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).