2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione

C25H24N2O6 — CID 159541249

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione
SMILESCCc1ccc(CCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C25H24N2O6/c1-2-15-6-8-16(9-7-15)10-11-17(28)14-33-20-5-3-4-18-22(20)25(32)27(24(18)31)19-12-13-21(29)26-23(19)30/h3-9,19H,2,10-14H2,1H3,(H,26,29,30)
InChIKeyLGMIQKSCOAGZAY-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.23
Rot. Bonds8

About 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione (PubChem CID 159541249) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione
PubChem CID159541249
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione
SMILESCCc1ccc(CCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C25H24N2O6/c1-2-15-6-8-16(9-7-15)10-11-17(28)14-33-20-5-3-4-18-22(20)25(32)27(24(18)31)19-12-13-21(29)26-23(19)30/h3-9,19H,2,10-14H2,1H3,(H,26,29,30)
InChIKeyLGMIQKSCOAGZAY-UHFFFAOYSA-N
XLogP2.23
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione with MolForge

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Related Compounds

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
CID 164925007
(2S)-8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-methyl-4,7-dioxooctanoic acid
CID 161345888
2-(2,6-dioxopiperidin-3-yl)-4-(11,11,11-trifluoro-2-oxoundecoxy)isoindole-1,3-dione
CID 158386851
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
N-tert-butyl-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 134384711
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide
CID 134511289
tert-butyl (2S)-9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-methyl-8-oxononanoate
CID 157241520
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-ethenylacetamide
CID 166735269
2-(2,6-dioxopiperidin-3-yl)-4-(11-oxododecoxy)isoindole-1,3-dione
CID 170374507
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876
4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167690307
2-(2,6-dioxopiperidin-3-yl)-4-(2-oxo-2-piperazin-1-ylethoxy)isoindole-1,3-dione
CID 155292507

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione (CID 159541249) is 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione is CCc1ccc(CCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione?
The InChIKey is LGMIQKSCOAGZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-2-15-6-8-16(9-7-15)10-11-17(28)14-33-20-5-3-4-18-22(20)25(32)27(24(18)31)19-12-13-21(29)26-23(19)30/h3-9,19H,2,10-14H2,1H3,(H,26,29,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione has a molecular weight of 448.48 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione is sourced from PubChem (CID 159541249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).