2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione

C17H14N2O3 — CID 5332496

IUPAC2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-2-22-13-9-7-12(8-10-13)11-18-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-11H,2H2,1H3/b18-11+
InChIKeyYWFALNDSTQGAOF-WOJGMQOQSA-N
MW294.31 g/mol
LogP2.72
Rot. Bonds4

About 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 5332496) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID5332496
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-2-22-13-9-7-12(8-10-13)11-18-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-11H,2H2,1H3/b18-11+
InChIKeyYWFALNDSTQGAOF-WOJGMQOQSA-N
XLogP2.72
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione
CID 5337750
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
CID 6909855
2-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]isoindole-1,3-dione
CID 9072178
2-[(E)-(4-methylsulfanylphenyl)methylideneamino]isoindole-1,3-dione
CID 6897377
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
(1S,2R,6R,7S,8S,10R)-4-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124763571
2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 2378288
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 18291388
2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135852605

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 5332496) is 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione is CCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is YWFALNDSTQGAOF-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-22-13-9-7-12(8-10-13)11-18-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-11H,2H2,1H3/b18-11+.
What are the key properties of 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 294.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 5332496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).