N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide

C133H234N6O10 — CID 89101985

IUPACN-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCC(C)C(CCCCCCCCN(C(=O)C(=C)C)C1CC(=O)N(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)C1=O)CCC(CCCCCC)CCCCCCCCC)C1CC(=O)N(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)C1=O
InChIInChI=1S/C133H234N6O10/c1-12-18-24-30-33-47-63-81-112(80-62-27-21-15-4)91-92-113(82-66-48-35-41-56-74-102-135(131(147)110(9)10)123-108-129(145)139(133(123)149)106-78-60-45-39-54-72-90-121-117(86-68-50-37-43-58-76-104-137-126(142)99-100-127(137)143)96-94-115(84-65-29-23-17-6)119(121)88-70-52-32-26-20-14-3)111(11)79-61-46-34-40-55-73-101-134(130(146)109(7)8)122-107-128(144)138(132(122)148)105-77-59-44-38-53-71-89-120-116(85-67-49-36-42-57-75-103-136-124(140)97-98-125(136)141)95-93-114(83-64-28-22-16-5)118(120)87-69-51-31-25-19-13-2/h97-100,111-123H,7,9,12-96,101-108H2,1-6,8,10-11H3
InChIKeyZNXCJRYCCFWSAL-UHFFFAOYSA-N
MW2077.37 g/mol
LogP36.00
Rot. Bonds99

About N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide

N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide (PubChem CID 89101985) has the molecular formula C133H234N6O10 and a molecular weight of 2077.37 g/mol. Its IUPAC name is N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide
PubChem CID89101985
Molecular FormulaC133H234N6O10
Molecular Weight2077.37 g/mol
Exact Mass2075.80
IUPAC NameN-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCC(C)C(CCCCCCCCN(C(=O)C(=C)C)C1CC(=O)N(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)C1=O)CCC(CCCCCC)CCCCCCCCC)C1CC(=O)N(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)C1=O
InChIInChI=1S/C133H234N6O10/c1-12-18-24-30-33-47-63-81-112(80-62-27-21-15-4)91-92-113(82-66-48-35-41-56-74-102-135(131(147)110(9)10)123-108-129(145)139(133(123)149)106-78-60-45-39-54-72-90-121-117(86-68-50-37-43-58-76-104-137-126(142)99-100-127(137)143)96-94-115(84-65-29-23-17-6)119(121)88-70-52-32-26-20-14-3)111(11)79-61-46-34-40-55-73-101-134(130(146)109(7)8)122-107-128(144)138(132(122)148)105-77-59-44-38-53-71-89-120-116(85-67-49-36-42-57-75-103-136-124(140)97-98-125(136)141)95-93-114(83-64-28-22-16-5)118(120)87-69-51-31-25-19-13-2/h97-100,111-123H,7,9,12-96,101-108H2,1-6,8,10-11H3
InChIKeyZNXCJRYCCFWSAL-UHFFFAOYSA-N
XLogP36.00
TPSA190.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds99
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002077.37
LogP ≤ 536.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide (CID 89101985) is N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCCCCCCC(C)C(CCCCCCCCN(C(=O)C(=C)C)C1CC(=O)N(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)C1=O)CCC(CCCCCC)CCCCCCCCC)C1CC(=O)N(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)C1=O.
What is the InChIKey of N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide?
The InChIKey is ZNXCJRYCCFWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H234N6O10/c1-12-18-24-30-33-47-63-81-112(80-62-27-21-15-4)91-92-113(82-66-48-35-41-56-74-102-135(131(147)110(9)10)123-108-129(145)139(133(123)149)106-78-60-45-39-54-72-90-121-117(86-68-50-37-43-58-76-104-137-126(142)99-100-127(137)143)96-94-115(84-65-29-23-17-6)119(121)88-70-52-32-26-20-14-3)111(11)79-61-46-34-40-55-73-101-134(130(146)109(7)8)122-107-128(144)138(132(122)148)105-77-59-44-38-53-71-89-120-116(85-67-49-36-42-57-75-103-136-124(140)97-98-125(136)141)95-93-114(83-64-28-22-16-5)118(120)87-69-51-31-25-19-13-2/h97-100,111-123H,7,9,12-96,101-108H2,1-6,8,10-11H3.
What are the key properties of N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide?
N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide has a molecular weight of 2077.37 g/mol, XLogP of 36.00, 99 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-N-[10-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-13-hexyl-9-methyldocosyl]-2-methylprop-2-enamide is sourced from PubChem (CID 89101985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).