N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide

C137H226N6O10 — CID 129176076

About N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide

N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide (PubChem CID 129176076) has the molecular formula C137H226N6O10 and a molecular weight of 2117.35 g/mol. Its IUPAC name is N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide
• PubChem CID: 129176076
• Molecular Formula: C137H226N6O10
• Molecular Weight: 2117.35 g/mol
• Exact Mass: 2115.74
• IUPAC Name: N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide
• SMILES: CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)C=CC2=O)C1CCCCCCCCN1C(=O)C=C(N(CCCCCCCCC2C(CCCCCCCCN(C(=O)c3ccccc3)C3CC(=O)N(CCCCCCCCC4C(CCCCCCCN5C(=O)C=CC5=O)CCC(CCCCCC)C4CCCCCCCC)C3=O)CCC(CCCCCC)C2CCCCCCCC)C(=O)c2ccccc2)C1=O
• InChI: InChI=1S/C137H226N6O10/c1-7-13-19-25-42-66-88-120-112(78-56-22-16-10-4)94-97-115(81-59-39-28-33-48-72-104-138(134(150)118-84-62-54-63-85-118)126-110-132(148)142(136(126)152)108-76-52-37-32-47-71-93-125-117(83-61-41-38-53-75-107-141-130(146)102-103-131(141)147)99-96-114(80-58-24-18-12-6)122(125)90-68-44-27-21-15-9-3)123(120)91-69-45-30-35-49-73-105-139(135(151)119-86-64-55-65-87-119)127-111-133(149)143(137(127)153)109-77-51-36-31-46-70-92-124-116(82-60-40-29-34-50-74-106-140-128(144)100-101-129(140)145)98-95-113(79-57-23-17-11-5)121(124)89-67-43-26-20-14-8-2/h54-55,62-65,84-87,100-103,111-117,120-126H,7-53,56-61,66-83,88-99,104-110H2,1-6H3
• InChIKey: OQCQISBPNQJOKP-UHFFFAOYSA-N
• XLogP: 36.43
• TPSA: 190.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 93
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2117.35
LogP ≤ 5	36.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide?

The IUPAC name of N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide (CID 129176076) is N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide.

What is the SMILES notation for N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide?

The canonical SMILES for N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide is CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)C=CC2=O)C1CCCCCCCCN1C(=O)C=C(N(CCCCCCCCC2C(CCCCCCCCN(C(=O)c3ccccc3)C3CC(=O)N(CCCCCCCCC4C(CCCCCCCN5C(=O)C=CC5=O)CCC(CCCCCC)C4CCCCCCCC)C3=O)CCC(CCCCCC)C2CCCCCCCC)C(=O)c2ccccc2)C1=O.

What is the InChIKey of N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide?

The InChIKey is OQCQISBPNQJOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H226N6O10/c1-7-13-19-25-42-66-88-120-112(78-56-22-16-10-4)94-97-115(81-59-39-28-33-48-72-104-138(134(150)118-84-62-54-63-85-118)126-110-132(148)142(136(126)152)108-76-52-37-32-47-71-93-125-117(83-61-41-38-53-75-107-141-130(146)102-103-131(141)147)99-96-114(80-58-24-18-12-6)122(125)90-68-44-27-21-15-9-3)123(120)91-69-45-30-35-49-73-105-139(135(151)119-86-64-55-65-87-119)127-111-133(149)143(137(127)153)109-77-51-36-31-46-70-92-124-116(82-60-40-29-34-50-74-106-140-128(144)100-101-129(140)145)98-95-113(79-57-23-17-11-5)121(124)89-67-43-26-20-14-8-2/h54-55,62-65,84-87,100-103,111-117,120-126H,7-53,56-61,66-83,88-99,104-110H2,1-6H3.

What are the key properties of N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide?

N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide has a molecular weight of 2117.35 g/mol, XLogP of 36.43, 93 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[2-[8-[benzoyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrol-3-yl]amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-N-[1-[8-[6-[7-(2,5-dioxopyrrol-1-yl)heptyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 129176076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).