2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide

C18H19N3O3 — CID 6893119

IUPAC2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(/C=N/OCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-3-7-17(8-4-13)21-18(23)12-24-19-11-15-5-9-16(10-6-15)20-14(2)22/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyLYBIBLCPCNBJQQ-YBFXNURJSA-N
MW325.37 g/mol
LogP2.94
Rot. Bonds6

About 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide

2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide (PubChem CID 6893119) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
PubChem CID6893119
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(/C=N/OCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-3-7-17(8-4-13)21-18(23)12-24-19-11-15-5-9-16(10-6-15)20-14(2)22/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyLYBIBLCPCNBJQQ-YBFXNURJSA-N
XLogP2.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2'-oxybis[N-(4-methylphenyl)acetamide]
CID 3391212
N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 4095074
2-[[amino(phenyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
CID 4842829
2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide
CID 4842831
4-(dimethylamino)benzaldehyde O-(anilinocarbonyl)oxime
CID 5337721
4-(dimethylamino)benzaldehyde O-{[(4-methylphenyl)amino]carbonyl}oxime
CID 5722523
N-(2,4-dimethylphenyl)-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 9687072
Alpha-hydroxyimino-P-acetotoluidide
CID 6876523
N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide
CID 6013773
2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 6892656
N-(2-methylphenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide
CID 9625192
2-[2-(4-carbamimidoylanilino)-2-oxoethoxy]-N-(4-carbamimidoylphenyl)acetamide;dihydrochloride
CID 145992494

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide (CID 6893119) is 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide is CC(=O)Nc1ccc(/C=N/OCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The InChIKey is LYBIBLCPCNBJQQ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-3-7-17(8-4-13)21-18(23)12-24-19-11-15-5-9-16(10-6-15)20-14(2)22/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)/b19-11+.
What are the key properties of 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide?
2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 6893119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).