N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide

C17H16N4O5 — CID 3528185

IUPACN-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H16N4O5/c1-2-26-15-8-6-13(7-9-15)19-16(22)17(23)20-18-11-12-4-3-5-14(10-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)
InChIKeyFTBKHBVWBPXGPW-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.08
Rot. Bonds6

About N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide

N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide (PubChem CID 3528185) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
PubChem CID3528185
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H16N4O5/c1-2-26-15-8-6-13(7-9-15)19-16(22)17(23)20-18-11-12-4-3-5-14(10-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)
InChIKeyFTBKHBVWBPXGPW-UHFFFAOYSA-N
XLogP2.08
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 8932304
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 98535628
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610
N-[3-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3093233
N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 6017944
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935
N-(4-butoxyphenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
CID 126259138

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide (CID 3528185) is N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide is CCOc1ccc(NC(=O)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The InChIKey is FTBKHBVWBPXGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-2-26-15-8-6-13(7-9-15)19-16(22)17(23)20-18-11-12-4-3-5-14(10-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide has a molecular weight of 356.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 3528185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).