N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide

C16H15N3O4 — CID 135537494

IUPACN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1O
InChIInChI=1S/C16H15N3O4/c1-23-14-9-11(7-8-13(14)20)10-17-19-16(22)15(21)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyXXFOVCPXMNZKJB-LICLKQGHSA-N
MW313.31 g/mol
LogP1.49
Rot. Bonds4

About N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide (PubChem CID 135537494) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide
PubChem CID135537494
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1O
InChIInChI=1S/C16H15N3O4/c1-23-14-9-11(7-8-13(14)20)10-17-19-16(22)15(21)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyXXFOVCPXMNZKJB-LICLKQGHSA-N
XLogP1.49
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-Hydroxy-3-methoxybenzaldehyde phenylhydrazone
CID 135684904
2-(2-(1,3-Benzodioxol-5-ylmethylene)hydrazino)N-(3-methoxyphenyl)-2-oxoacetamide
CID 5340774
N-(4-Bromophenyl)-4-(2-(4-HO-3-methoxybenzylidene)hydrazino)-4-oxobutanamide
CID 135684939
2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxo-N-phenylacetamide
CID 9592805
5-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9655904
4-(Diphenyl-hydrazonomethyl)-2-methoxy-phenol
CID 135444096
1-[[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenylurea
CID 135455143
4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 402961
4-(3,4-Dimethoxybenzylideneamino)antipyrine
CID 1101245
4-Hydroxy-3-methoxybenzaldehyde N-phenylthiosemicarbazone
CID 135441799
N-(3-chlorophenyl)-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 334737
N-{1-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-1-oxopropan-2-yl}-N-(4-methoxyphenyl)methanesulfonamide (non-preferred name)
CID 5335550

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide (CID 135537494) is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide is COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1O.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The InChIKey is XXFOVCPXMNZKJB-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-23-14-9-11(7-8-13(14)20)10-17-19-16(22)15(21)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide?
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide has a molecular weight of 313.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide is sourced from PubChem (CID 135537494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).