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

C19H19N3O3 — CID 135505352

IUPAC2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione
SMILESCCN(CC)c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C19H19N3O3/c1-3-21(4-2)14-10-9-13(17(23)11-14)12-20-22-18(24)15-7-5-6-8-16(15)19(22)25/h5-12,23H,3-4H2,1-2H3/b20-12+
InChIKeyORSAHFJXOVNPLN-UDWIEESQSA-N
MW337.38 g/mol
LogP2.87
Rot. Bonds5

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

2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione (PubChem CID 135505352) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione
PubChem CID135505352
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione
SMILESCCN(CC)c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C19H19N3O3/c1-3-21(4-2)14-10-9-13(17(23)11-14)12-20-22-18(24)15-7-5-6-8-16(15)19(22)25/h5-12,23H,3-4H2,1-2H3/b20-12+
InChIKeyORSAHFJXOVNPLN-UDWIEESQSA-N
XLogP2.87
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
Phthalimide, N-(m-hydroxyphenyl)-
CID 187955
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
6-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)hexanamide
CID 1572660
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455
N'-{1-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]ethylidene}-2-hydroxybenzohydrazide
CID 5718226
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 135971384
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-hydroxybenzohydrazide
CID 135472595
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-fluorobenzohydrazide
CID 135470893
N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxybenzohydrazide
CID 679095
N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}-2-phenylacetohydrazide
CID 135643371
N'-{(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 135647011

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione (CID 135505352) is 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione is CCN(CC)c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(O)c1.
What is the InChIKey of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione?
The InChIKey is ORSAHFJXOVNPLN-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-21(4-2)14-10-9-13(17(23)11-14)12-20-22-18(24)15-7-5-6-8-16(15)19(22)25/h5-12,23H,3-4H2,1-2H3/b20-12+.
What are the key properties of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione?
2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione has a molecular weight of 337.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135505352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).