N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

C59H67N9O11 — CID 166690611

About N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (PubChem CID 166690611) has the molecular formula C59H67N9O11 and a molecular weight of 1078.24 g/mol. Its IUPAC name is N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• PubChem CID: 166690611
• Molecular Formula: C59H67N9O11
• Molecular Weight: 1078.24 g/mol
• Exact Mass: 1077.50
• IUPAC Name: N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• SMILES: N#Cc1ccc(NC2CCC(N(C(=O)NCc3ccccc3)c3ccc(-c4ccnc(OCCOCCCCOCCCOCCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c4)cc3)CC2)nc1
• InChI: InChI=1S/C59H67N9O11/c60-37-42-14-24-51(63-39-42)65-45-17-21-47(22-18-45)67(59(74)64-38-41-10-2-1-3-11-41)46-19-15-43(16-20-46)44-26-28-62-54(36-44)78-35-34-77-31-7-6-30-76-33-9-32-75-29-5-4-27-61-53(70)40-79-50-13-8-12-48-55(50)58(73)68(57(48)72)49-23-25-52(69)66-56(49)71/h1-3,8,10-16,19-20,24,26,28,36,39,45,47,49H,4-7,9,17-18,21-23,25,27,29-35,38,40H2,(H,61,70)(H,63,65)(H,64,74)(H,66,69,71)
• InChIKey: GHADEEPNFGAELC-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 252.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1078.24
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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 N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The IUPAC name of N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (CID 166690611) is N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

What is the SMILES notation for N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The canonical SMILES for N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is N#Cc1ccc(NC2CCC(N(C(=O)NCc3ccccc3)c3ccc(-c4ccnc(OCCOCCCCOCCCOCCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c4)cc3)CC2)nc1.

What is the InChIKey of N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The InChIKey is GHADEEPNFGAELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H67N9O11/c60-37-42-14-24-51(63-39-42)65-45-17-21-47(22-18-45)67(59(74)64-38-41-10-2-1-3-11-41)46-19-15-43(16-20-46)44-26-28-62-54(36-44)78-35-34-77-31-7-6-30-76-33-9-32-75-29-5-4-27-61-53(70)40-79-50-13-8-12-48-55(50)58(73)68(57(48)72)49-23-25-52(69)66-56(49)71/h1-3,8,10-16,19-20,24,26,28,36,39,45,47,49H,4-7,9,17-18,21-23,25,27,29-35,38,40H2,(H,61,70)(H,63,65)(H,64,74)(H,66,69,71).

What are the key properties of N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide has a molecular weight of 1078.24 g/mol, XLogP of 7.13, 29 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[4-[2-[[4-[4-[benzylcarbamoyl-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]-2-pyridinyl]oxy]ethoxy]butoxy]propoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is sourced from PubChem (CID 166690611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).