4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide

C41H37N5O9 — CID 168863692

About 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide

4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide (PubChem CID 168863692) has the molecular formula C41H37N5O9 and a molecular weight of 743.77 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide
• PubChem CID: 168863692
• Molecular Formula: C41H37N5O9
• Molecular Weight: 743.77 g/mol
• Exact Mass: 743.26
• IUPAC Name: 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide
• SMILES: NC(=O)c1ccc(-c2cc(-c3ccc(OCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc(-c3ccco3)c2)cc1
• InChI: InChI=1S/C41H37N5O9/c42-38(48)27-8-6-25(7-9-27)28-23-32(44-33(24-28)35-5-2-17-55-35)26-10-12-29(13-11-26)54-22-21-53-20-19-52-18-16-43-31-4-1-3-30-37(31)41(51)46(40(30)50)34-14-15-36(47)45-39(34)49/h1-13,17,23-24,34,43H,14-16,18-22H2,(H2,42,48)(H,45,47,49)
• InChIKey: ONQOYUJGIDMVBR-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 192.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.77
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide?

The IUPAC name of 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide (CID 168863692) is 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide.

What is the SMILES notation for 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide?

The canonical SMILES for 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc(OCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc(-c3ccco3)c2)cc1.

What is the InChIKey of 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide?

The InChIKey is ONQOYUJGIDMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37N5O9/c42-38(48)27-8-6-25(7-9-27)28-23-32(44-33(24-28)35-5-2-17-55-35)26-10-12-29(13-11-26)54-22-21-53-20-19-52-18-16-43-31-4-1-3-30-37(31)41(51)46(40(30)50)34-14-15-36(47)45-39(34)49/h1-13,17,23-24,34,43H,14-16,18-22H2,(H2,42,48)(H,45,47,49).

What are the key properties of 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide?

4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide has a molecular weight of 743.77 g/mol, XLogP of 4.70, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 168863692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).