(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate

C97H160N12O28 — CID 118440512

About (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate

(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate (PubChem CID 118440512) has the molecular formula C97H160N12O28 and a molecular weight of 1942.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate
• PubChem CID: 118440512
• Molecular Formula: C97H160N12O28
• Molecular Weight: 1942.40 g/mol
• Exact Mass: 1941.15
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate
• SMILES: O=C(CCCCCCCNC(=O)CCOCC(COCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C97H160N12O28/c110-77(98-61-33-21-5-13-29-45-93(126)134-106-85(118)49-50-86(106)119)41-25-9-1-17-37-65-102-81(114)57-69-130-73-97(74-131-70-58-82(115)103-66-38-18-2-10-26-42-78(111)99-62-34-22-6-14-30-46-94(127)135-107-87(120)51-52-88(107)121,75-132-71-59-83(116)104-67-39-19-3-11-27-43-79(112)100-63-35-23-7-15-31-47-95(128)136-108-89(122)53-54-90(108)123)76-133-72-60-84(117)105-68-40-20-4-12-28-44-80(113)101-64-36-24-8-16-32-48-96(129)137-109-91(124)55-56-92(109)125/h1-76H2,(H,98,110)(H,99,111)(H,100,112)(H,101,113)(H,102,114)(H,103,115)(H,104,116)(H,105,117)
• InChIKey: FPRAXKGEHGTSGR-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 524.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 88
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.40
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

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 (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate (CID 118440512) is (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate is O=C(CCCCCCCNC(=O)CCOCC(COCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate?

The InChIKey is FPRAXKGEHGTSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H160N12O28/c110-77(98-61-33-21-5-13-29-45-93(126)134-106-85(118)49-50-86(106)119)41-25-9-1-17-37-65-102-81(114)57-69-130-73-97(74-131-70-58-82(115)103-66-38-18-2-10-26-42-78(111)99-62-34-22-6-14-30-46-94(127)135-107-87(120)51-52-88(107)121,75-132-71-59-83(116)104-67-39-19-3-11-27-43-79(112)100-63-35-23-7-15-31-47-95(128)136-108-89(122)53-54-90(108)123)76-133-72-60-84(117)105-68-40-20-4-12-28-44-80(113)101-64-36-24-8-16-32-48-96(129)137-109-91(124)55-56-92(109)125/h1-76H2,(H,98,110)(H,99,111)(H,100,112)(H,101,113)(H,102,114)(H,103,115)(H,104,116)(H,105,117).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate?

(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate has a molecular weight of 1942.40 g/mol, XLogP of 9.68, 88 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate is sourced from PubChem (CID 118440512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).