N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide

C19H19N3O3 — CID 135433321

IUPACN'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESC=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1O
InChIInChI=1S/C19H19N3O3/c1-3-5-14-6-4-7-15(17(14)23)12-20-22-19(25)18(24)21-16-10-8-13(2)9-11-16/h3-4,6-12,23H,1,5H2,2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyGPZXJWHMYOFXOC-UDWIEESQSA-N
MW337.38 g/mol
LogP2.52
Rot. Bonds5

About N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide

N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 135433321) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID135433321
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESC=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1O
InChIInChI=1S/C19H19N3O3/c1-3-5-14-6-4-7-15(17(14)23)12-20-22-19(25)18(24)21-16-10-8-13(2)9-11-16/h3-4,6-12,23H,1,5H2,2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyGPZXJWHMYOFXOC-UDWIEESQSA-N
XLogP2.52
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
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
4-[(2-Hydroxy-3-prop-2-enylphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 753624
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420009
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
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

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (CID 135433321) is N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1O.
What is the InChIKey of N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is GPZXJWHMYOFXOC-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-5-14-6-4-7-15(17(14)23)12-20-22-19(25)18(24)21-16-10-8-13(2)9-11-16/h3-4,6-12,23H,1,5H2,2H3,(H,21,24)(H,22,25)/b20-12+.
What are the key properties of N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 337.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 135433321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).