N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide

C17H16N4O5 — CID 5344798

IUPACN-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N4O5/c1-2-26-15-6-4-3-5-14(15)19-16(22)17(23)20-18-11-12-7-9-13(10-8-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyPVGMSWQOGSWIBN-WOJGMQOQSA-N
MW356.34 g/mol
LogP2.08
Rot. Bonds6

About N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide

N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide (PubChem CID 5344798) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
PubChem CID5344798
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N4O5/c1-2-26-15-6-4-3-5-14(15)19-16(22)17(23)20-18-11-12-7-9-13(10-8-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyPVGMSWQOGSWIBN-WOJGMQOQSA-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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide (CID 5344798) is N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide is CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide?
The InChIKey is PVGMSWQOGSWIBN-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-2-26-15-6-4-3-5-14(15)19-16(22)17(23)20-18-11-12-7-9-13(10-8-12)21(24)25/h3-11H,2H2,1H3,(H,19,22)(H,20,23)/b18-11+.
What are the key properties of N-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide?
N-(2-ethoxyphenyl)-N'-[(E)-(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-(2-ethoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 5344798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).