N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide

C15H18N4O4 — CID 135455139

IUPACN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
SMILESCCOc1cccc(/C=N/NC(=O)CC2C(=O)NN=C2C)c1O
InChIInChI=1S/C15H18N4O4/c1-3-23-12-6-4-5-10(14(12)21)8-16-18-13(20)7-11-9(2)17-19-15(11)22/h4-6,8,11,21H,3,7H2,1-2H3,(H,18,20)(H,19,22)/b16-8+
InChIKeyOCESZXYIZXWRQU-LZYBPNLTSA-N
MW318.33 g/mol
LogP0.75
Rot. Bonds6

About N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide (PubChem CID 135455139) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
PubChem CID135455139
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
SMILESCCOc1cccc(/C=N/NC(=O)CC2C(=O)NN=C2C)c1O
InChIInChI=1S/C15H18N4O4/c1-3-23-12-6-4-5-10(14(12)21)8-16-18-13(20)7-11-9(2)17-19-15(11)22/h4-6,8,11,21H,3,7H2,1-2H3,(H,18,20)(H,19,22)/b16-8+
InChIKeyOCESZXYIZXWRQU-LZYBPNLTSA-N
XLogP0.75
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647876
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135650553
N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
CID 9636377
3-hydroxy-N'-[(E)-(3-methoxy-2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]butanehydrazide
CID 25237289
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]propanohydrazide
CID 135412038
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4-(4-methoxy-3-methylphenyl)butanohydrazide
CID 135420199
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
CID 135438957
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E)-(3-ethoxy-4-hydroxyphenyl)methylene]propanohydrazide
CID 135439786
N,N'-bis[(E)-(2-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
CID 135460566
N'-[(Z)-(2-Hydroxy-3-methoxyphenyl)methylidene]-4-methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carbohydrazide
CID 135497932
N'-(4-Hydroxy-3-methoxybenzylidene)hexadecanohydrazide
CID 136499958

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide?
The IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide (CID 135455139) is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide?
The canonical SMILES for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide is CCOc1cccc(/C=N/NC(=O)CC2C(=O)NN=C2C)c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide?
The InChIKey is OCESZXYIZXWRQU-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-3-23-12-6-4-5-10(14(12)21)8-16-18-13(20)7-11-9(2)17-19-15(11)22/h4-6,8,11,21H,3,7H2,1-2H3,(H,18,20)(H,19,22)/b16-8+.
What are the key properties of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide?
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide has a molecular weight of 318.33 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 135455139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).