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

C21H22N2O4 — CID 2378288

IUPAC2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCCCOc1ccc(C=NN2C(=O)c3ccccc3C2=O)c(OCCC)c1
InChIInChI=1S/C21H22N2O4/c1-3-11-26-16-10-9-15(19(13-16)27-12-4-2)14-22-23-20(24)17-7-5-6-8-18(17)21(23)25/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyKPTAOEUELWTIQV-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.89
Rot. Bonds8

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

2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 2378288) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID2378288
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCCCOc1ccc(C=NN2C(=O)c3ccccc3C2=O)c(OCCC)c1
InChIInChI=1S/C21H22N2O4/c1-3-11-26-16-10-9-15(19(13-16)27-12-4-2)14-22-23-20(24)17-7-5-6-8-18(17)21(23)25/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyKPTAOEUELWTIQV-UHFFFAOYSA-N
XLogP3.89
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135852605
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578
[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
CID 7681958
(4E)-4-[(2,4-dipropoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione
CID 2450991
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496
4-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 9358815
(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673713
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
CID 5394460
2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione
CID 9072493
2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
CID 5404063

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 2378288) is 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione is CCCOc1ccc(C=NN2C(=O)c3ccccc3C2=O)c(OCCC)c1.
What is the InChIKey of 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is KPTAOEUELWTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-11-26-16-10-9-15(19(13-16)27-12-4-2)14-22-23-20(24)17-7-5-6-8-18(17)21(23)25/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 366.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 2378288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).