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

C19H19N3O2 — CID 5337750

IUPAC2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione
SMILESCCN(CC)c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-3-21(4-2)15-11-9-14(10-12-15)13-20-22-18(23)16-7-5-6-8-17(16)19(22)24/h5-13H,3-4H2,1-2H3/b20-13+
InChIKeyUGZPXYGJTXVIML-DEDYPNTBSA-N
MW321.38 g/mol
LogP3.16
Rot. Bonds5

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

2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione (PubChem CID 5337750) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione
PubChem CID5337750
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione
SMILESCCN(CC)c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-3-21(4-2)15-11-9-14(10-12-15)13-20-22-18(23)16-7-5-6-8-17(16)19(22)24/h5-13H,3-4H2,1-2H3/b20-13+
InChIKeyUGZPXYGJTXVIML-DEDYPNTBSA-N
XLogP3.16
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.16
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-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
CID 6909855
2-[(E)-(4-methylsulfanylphenyl)methylideneamino]isoindole-1,3-dione
CID 6897377
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260846
4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methyl-3-methylidene-2H-1,2,4-triazin-5-one
CID 129215976
4-[[4-(diethylamino)phenyl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 3113318
(5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713594
2-[(4-chlorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 689663
2-[(E)-[4-(N-[4-[(E)-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]iminomethyl]phenyl]anilino)phenyl]methylideneamino]-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one
CID 177428421
4-[(E)-[3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 122713598

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione (CID 5337750) is 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione is CCN(CC)c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione?
The InChIKey is UGZPXYGJTXVIML-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-21(4-2)15-11-9-14(10-12-15)13-20-22-18(23)16-7-5-6-8-17(16)19(22)24/h5-13H,3-4H2,1-2H3/b20-13+.
What are the key properties of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione?
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione has a molecular weight of 321.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 5337750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).