N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

C17H17N3O3 — CID 135531554

IUPACN-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESCCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C17H17N3O3/c1-2-12-7-9-14(10-8-12)19-16(22)17(23)20-18-11-13-5-3-4-6-15(13)21/h3-11,21H,2H2,1H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyPCSUMMYJSNOKQI-WOJGMQOQSA-N
MW311.34 g/mol
LogP2.04
Rot. Bonds4

About N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135531554) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135531554
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESCCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C17H17N3O3/c1-2-12-7-9-14(10-8-12)19-16(22)17(23)20-18-11-13-5-3-4-6-15(13)21/h3-11,21H,2H2,1H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyPCSUMMYJSNOKQI-WOJGMQOQSA-N
XLogP2.04
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (CID 135531554) is N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is PCSUMMYJSNOKQI-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-12-7-9-14(10-8-12)19-16(22)17(23)20-18-11-13-5-3-4-6-15(13)21/h3-11,21H,2H2,1H3,(H,19,22)(H,20,23)/b18-11+.
What are the key properties of N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 311.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135531554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).