2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide

C64H110N8O30 — CID 156780312

IUPAC2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide
SMILESO=C(CCCNC(=O)C(NC(=O)CN1C(=O)C=CC1=O)C(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C64H110N8O30/c73-13-17-87-21-25-91-29-33-95-37-41-99-45-49-101-47-43-97-39-35-93-31-27-89-23-19-85-15-11-65-53(75)3-1-9-67-63(83)61(69-55(77)51-71-57(79)5-6-58(71)80)62(70-56(78)52-72-59(81)7-8-60(72)82)64(84)68-10-2-4-54(76)66-12-16-86-20-24-90-28-32-94-36-40-98-44-48-102-50-46-100-42-38-96-34-30-92-26-22-88-18-14-74/h5-8,61-62,73-74H,1-4,9-52H2,(H,65,75)(H,66,76)(H,67,83)(H,68,84)(H,69,77)(H,70,78)
InChIKeyGQUJPRKSEINBJT-UHFFFAOYSA-N
MW1471.61 g/mol
LogP-5.89
Rot. Bonds75

About 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide

2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide (PubChem CID 156780312) has the molecular formula C64H110N8O30 and a molecular weight of 1471.61 g/mol. Its IUPAC name is 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide.

Molecular Properties

Compound Name2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide
PubChem CID156780312
Molecular FormulaC64H110N8O30
Molecular Weight1471.61 g/mol
Exact Mass1470.73
IUPAC Name2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide
SMILESO=C(CCCNC(=O)C(NC(=O)CN1C(=O)C=CC1=O)C(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C64H110N8O30/c73-13-17-87-21-25-91-29-33-95-37-41-99-45-49-101-47-43-97-39-35-93-31-27-89-23-19-85-15-11-65-53(75)3-1-9-67-63(83)61(69-55(77)51-71-57(79)5-6-58(71)80)62(70-56(78)52-72-59(81)7-8-60(72)82)64(84)68-10-2-4-54(76)66-12-16-86-20-24-90-28-32-94-36-40-98-44-48-102-50-46-100-42-38-96-34-30-92-26-22-88-18-14-74/h5-8,61-62,73-74H,1-4,9-52H2,(H,65,75)(H,66,76)(H,67,83)(H,68,84)(H,69,77)(H,70,78)
InChIKeyGQUJPRKSEINBJT-UHFFFAOYSA-N
XLogP-5.89
TPSA455.96 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds75
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.61
LogP ≤ 5-5.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide?
The IUPAC name of 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide (CID 156780312) is 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide.
What is the SMILES notation for 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide?
The canonical SMILES for 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide is O=C(CCCNC(=O)C(NC(=O)CN1C(=O)C=CC1=O)C(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide?
The InChIKey is GQUJPRKSEINBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H110N8O30/c73-13-17-87-21-25-91-29-33-95-37-41-99-45-49-101-47-43-97-39-35-93-31-27-89-23-19-85-15-11-65-53(75)3-1-9-67-63(83)61(69-55(77)51-71-57(79)5-6-58(71)80)62(70-56(78)52-72-59(81)7-8-60(72)82)64(84)68-10-2-4-54(76)66-12-16-86-20-24-90-28-32-94-36-40-98-44-48-102-50-46-100-42-38-96-34-30-92-26-22-88-18-14-74/h5-8,61-62,73-74H,1-4,9-52H2,(H,65,75)(H,66,76)(H,67,83)(H,68,84)(H,69,77)(H,70,78).
What are the key properties of 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide?
2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide has a molecular weight of 1471.61 g/mol, XLogP of -5.89, 75 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]butanediamide is sourced from PubChem (CID 156780312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).