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

C17H16N4O5 — CID 6187350

IUPACN-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N4O5/c1-2-26-15-9-5-13(6-10-15)19-16(22)17(23)20-18-11-12-3-7-14(8-4-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)/b18-11-
InChIKeyLNWCHKXBZIEEEF-WQRHYEAKSA-N
MW356.34 g/mol
LogP2.08
Rot. Bonds6

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

N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide (PubChem CID 6187350) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
PubChem CID6187350
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N4O5/c1-2-26-15-9-5-13(6-10-15)19-16(22)17(23)20-18-11-12-3-7-14(8-4-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)/b18-11-
InChIKeyLNWCHKXBZIEEEF-WQRHYEAKSA-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'}

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Related Compounds

N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 3528185
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 45041756
[4-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3848106
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
CID 21212730
[4-[(E)-[[2-(3,5-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 19661644
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide
CID 5363154

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide (CID 6187350) is N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide is CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide?
The InChIKey is LNWCHKXBZIEEEF-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-2-26-15-9-5-13(6-10-15)19-16(22)17(23)20-18-11-12-3-7-14(8-4-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)/b18-11-.
What are the key properties of N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide?
N-(4-ethoxyphenyl)-N'-[(Z)-(4-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'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6187350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).