N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide

C11H12N4O5 — CID 135438780

IUPACN-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide
SMILESCCNC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C11H12N4O5/c1-2-12-10(17)11(18)14-13-6-7-5-8(15(19)20)3-4-9(7)16/h3-6,16H,2H2,1H3,(H,12,17)(H,14,18)/b13-6+
InChIKeyJIBLXEYXOSRYQZ-AWNIVKPZSA-N
MW280.24 g/mol
LogP-0.11
Rot. Bonds4

About N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide

N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide (PubChem CID 135438780) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide
PubChem CID135438780
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC NameN-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide
SMILESCCNC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C11H12N4O5/c1-2-12-10(17)11(18)14-13-6-7-5-8(15(19)20)3-4-9(7)16/h3-6,16H,2H2,1H3,(H,12,17)(H,14,18)/b13-6+
InChIKeyJIBLXEYXOSRYQZ-AWNIVKPZSA-N
XLogP-0.11
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
CID 135460591
N'-[(1E)-(5-hydroxy-2-nitrophenyl)methylene]-2-[(4-methylphenyl)amino]acetohydrazide
CID 9557028
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 135650721
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide
CID 135873632
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405
4-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide
CID 135425066
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439747
N'-(2-hydroxy-5-nitrobenzylidene)-3-(4-methyl-1-piperazinyl)propanohydrazide
CID 135478397
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135497966
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135497967
5-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
CID 3754088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide (CID 135438780) is N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide is CCNC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide?
The InChIKey is JIBLXEYXOSRYQZ-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-2-12-10(17)11(18)14-13-6-7-5-8(15(19)20)3-4-9(7)16/h3-6,16H,2H2,1H3,(H,12,17)(H,14,18)/b13-6+.
What are the key properties of N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide?
N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide has a molecular weight of 280.24 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 135438780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).