2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione

C41H34N4O10 — CID 146458514

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 146458514) has the molecular formula C41H34N4O10 and a molecular weight of 742.74 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione
• PubChem CID: 146458514
• Molecular Formula: C41H34N4O10
• Molecular Weight: 742.74 g/mol
• Exact Mass: 742.23
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCOCCOc4ccc(CN5C(=O)C(=C/C=C/c6ccc([N+](=O)[O-])cc6)c6ccccc65)cc4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C41H34N4O10/c46-37-19-18-36(38(47)42-37)44-40(49)33-17-16-30(24-34(33)41(44)50)55-23-21-53-20-22-54-29-14-10-27(11-15-29)25-43-35-7-2-1-5-31(35)32(39(43)48)6-3-4-26-8-12-28(13-9-26)45(51)52/h1-17,24,36H,18-23,25H2,(H,42,46,47)/b4-3+,32-6?
• InChIKey: FYMDWHZQLGYIDW-NQKQFBFLSA-N
• XLogP: 5.11
• TPSA: 174.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.74
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 146458514) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCOCCOc4ccc(CN5C(=O)C(=C/C=C/c6ccc([N+](=O)[O-])cc6)c6ccccc65)cc4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The InChIKey is FYMDWHZQLGYIDW-NQKQFBFLSA-N. The full InChI is InChI=1S/C41H34N4O10/c46-37-19-18-36(38(47)42-37)44-40(49)33-17-16-30(24-34(33)41(44)50)55-23-21-53-20-22-54-29-14-10-27(11-15-29)25-43-35-7-2-1-5-31(35)32(39(43)48)6-3-4-26-8-12-28(13-9-26)45(51)52/h1-17,24,36H,18-23,25H2,(H,42,46,47)/b4-3+,32-6?.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 742.74 g/mol, XLogP of 5.11, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 146458514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).