N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide

C11H13N3O4 — CID 135852634

IUPACN'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide
SMILESCCOc1cccc(/C=N/NC(=O)C(N)=O)c1O
InChIInChI=1S/C11H13N3O4/c1-2-18-8-5-3-4-7(9(8)15)6-13-14-11(17)10(12)16/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17)/b13-6+
InChIKeyGAAHVBWOPZKIPY-AWNIVKPZSA-N
MW251.24 g/mol
LogP-0.27
Rot. Bonds4

About N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide

N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135852634) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135852634
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide
SMILESCCOc1cccc(/C=N/NC(=O)C(N)=O)c1O
InChIInChI=1S/C11H13N3O4/c1-2-18-8-5-3-4-7(9(8)15)6-13-14-11(17)10(12)16/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17)/b13-6+
InChIKeyGAAHVBWOPZKIPY-AWNIVKPZSA-N
XLogP-0.27
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
N-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]acetamide
CID 9860400
N-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135549613
2-methoxy-N'-[(Z)-(3-methoxy-2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237321
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
2-(azepan-1-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-oxoacetohydrazide
CID 135457608
Piperidin-1-yl-acetic acid (3-ethoxy-4-hydroxy-benzylidene)-hydrazide
CID 135537550
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647876
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-m-tolyloxy-acetamide
CID 135648074
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135650553
Ethyl 2-(3-hydroxy-4-methoxybenzylidene)hydrazine-1-carboxylate
CID 6861615

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide (CID 135852634) is N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide is CCOc1cccc(/C=N/NC(=O)C(N)=O)c1O.
What is the InChIKey of N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is GAAHVBWOPZKIPY-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-18-8-5-3-4-7(9(8)15)6-13-14-11(17)10(12)16/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17)/b13-6+.
What are the key properties of N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide?
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 251.24 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135852634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).