2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide

C25H25FN2O4 — CID 126382144

IUPAC2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(/C=N/OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H25FN2O4/c1-3-30-24-14-20(8-13-23(24)31-16-19-6-9-21(26)10-7-19)15-27-32-17-25(29)28-22-11-4-18(2)5-12-22/h4-15H,3,16-17H2,1-2H3,(H,28,29)/b27-15+
InChIKeyIXGCRTGAGHJSNP-JFLMPSFJSA-N
MW436.48 g/mol
LogP5.10
Rot. Bonds10

About 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide

2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide (PubChem CID 126382144) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
PubChem CID126382144
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(/C=N/OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H25FN2O4/c1-3-30-24-14-20(8-13-23(24)31-16-19-6-9-21(26)10-7-19)15-27-32-17-25(29)28-22-11-4-18(2)5-12-22/h4-15H,3,16-17H2,1-2H3,(H,28,29)/b27-15+
InChIKeyIXGCRTGAGHJSNP-JFLMPSFJSA-N
XLogP5.10
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221
2-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 3881838
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 3371511
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7663197
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
N-(4-tert-butylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662805
N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126270834
N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 126022472
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide (CID 126382144) is 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide is CCOc1cc(/C=N/OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The InChIKey is IXGCRTGAGHJSNP-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H25FN2O4/c1-3-30-24-14-20(8-13-23(24)31-16-19-6-9-21(26)10-7-19)15-27-32-17-25(29)28-22-11-4-18(2)5-12-22/h4-15H,3,16-17H2,1-2H3,(H,28,29)/b27-15+.
What are the key properties of 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide has a molecular weight of 436.48 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126382144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).