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

C16H15N3O3 — CID 135459122

IUPACN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H15N3O3/c1-11-6-8-13(9-7-11)18-15(21)16(22)19-17-10-12-4-2-3-5-14(12)20/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyDEXAWJWXDAJVDA-LICLKQGHSA-N
MW297.31 g/mol
LogP1.79
Rot. Bonds3

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

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 135459122) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID135459122
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H15N3O3/c1-11-6-8-13(9-7-11)18-15(21)16(22)19-17-10-12-4-2-3-5-14(12)20/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyDEXAWJWXDAJVDA-LICLKQGHSA-N
XLogP1.79
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.79
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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Related Compounds

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
N-[(1E)-2-(2-hydroxyphenyl)-1-azaprop-1-enyl]-2-[(methylsulfonyl)phenylamino]a cetamide
CID 135519931
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972
1,2-Dihydro-4-(((2-hydroxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 207856
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
N'-(3-allyl-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135425036
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (CID 135459122) is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is DEXAWJWXDAJVDA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-6-8-13(9-7-11)18-15(21)16(22)19-17-10-12-4-2-3-5-14(12)20/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+.
What are the key properties of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 297.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 135459122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).