N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide

C132H230N6O10 — CID 123240714

IUPACN-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCC1CCC(CCCCCC)C(CCCCCCCC)C1CCCCCCCCN(C(=O)C(=C)C)c1cc(O)n(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)c1O)c1cc(O)n(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)c1O
InChIInChI=1S/C132H230N6O10/c1-11-17-23-29-47-65-83-115-109(77-59-26-20-14-4)89-92-112(80-62-44-32-38-53-71-99-133(129(145)107(7)8)121-105-127(143)137(131(121)147)103-75-57-42-36-51-69-87-119-113(81-63-45-33-39-55-73-101-135-123(139)95-96-124(135)140)93-90-110(78-60-27-21-15-5)116(119)84-66-48-30-24-18-12-2)118(115)86-68-50-35-41-54-72-100-134(130(146)108(9)10)122-106-128(144)138(132(122)148)104-76-58-43-37-52-70-88-120-114(82-64-46-34-40-56-74-102-136-125(141)97-98-126(136)142)94-91-111(79-61-28-22-16-6)117(120)85-67-49-31-25-19-13-3/h95-98,105-106,109-120,143-144,147-148H,7,9,11-94,99-104H2,1-6,8,10H3
InChIKeyVLEJNUWVDOVOKZ-UHFFFAOYSA-N
MW2061.32 g/mol
LogP37.80
Rot. Bonds94

About N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide

N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide (PubChem CID 123240714) has the molecular formula C132H230N6O10 and a molecular weight of 2061.32 g/mol. Its IUPAC name is N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-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-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide
PubChem CID123240714
Molecular FormulaC132H230N6O10
Molecular Weight2061.32 g/mol
Exact Mass2059.77
IUPAC NameN-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCC1CCC(CCCCCC)C(CCCCCCCC)C1CCCCCCCCN(C(=O)C(=C)C)c1cc(O)n(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)c1O)c1cc(O)n(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)c1O
InChIInChI=1S/C132H230N6O10/c1-11-17-23-29-47-65-83-115-109(77-59-26-20-14-4)89-92-112(80-62-44-32-38-53-71-99-133(129(145)107(7)8)121-105-127(143)137(131(121)147)103-75-57-42-36-51-69-87-119-113(81-63-45-33-39-55-73-101-135-123(139)95-96-124(135)140)93-90-110(78-60-27-21-15-5)116(119)84-66-48-30-24-18-12-2)118(115)86-68-50-35-41-54-72-100-134(130(146)108(9)10)122-106-128(144)138(132(122)148)104-76-58-43-37-52-70-88-120-114(82-64-46-34-40-56-74-102-136-125(141)97-98-126(136)142)94-91-111(79-61-28-22-16-6)117(120)85-67-49-31-25-19-13-3/h95-98,105-106,109-120,143-144,147-148H,7,9,11-94,99-104H2,1-6,8,10H3
InChIKeyVLEJNUWVDOVOKZ-UHFFFAOYSA-N
XLogP37.80
TPSA206.16 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds94
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002061.32
LogP ≤ 537.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-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-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-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-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide (CID 123240714) is N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-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-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-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-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCCCCCCC1CCC(CCCCCC)C(CCCCCCCC)C1CCCCCCCCN(C(=O)C(=C)C)c1cc(O)n(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)c1O)c1cc(O)n(CCCCCCCCC2C(CCCCCCCCN3C(=O)C=CC3=O)CCC(CCCCCC)C2CCCCCCCC)c1O.
What is the InChIKey of N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide?
The InChIKey is VLEJNUWVDOVOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H230N6O10/c1-11-17-23-29-47-65-83-115-109(77-59-26-20-14-4)89-92-112(80-62-44-32-38-53-71-99-133(129(145)107(7)8)121-105-127(143)137(131(121)147)103-75-57-42-36-51-69-87-119-113(81-63-45-33-39-55-73-101-135-123(139)95-96-124(135)140)93-90-110(78-60-27-21-15-5)116(119)84-66-48-30-24-18-12-2)118(115)86-68-50-35-41-54-72-100-134(130(146)108(9)10)122-106-128(144)138(132(122)148)104-76-58-43-37-52-70-88-120-114(82-64-46-34-40-56-74-102-136-125(141)97-98-126(136)142)94-91-111(79-61-28-22-16-6)117(120)85-67-49-31-25-19-13-3/h95-98,105-106,109-120,143-144,147-148H,7,9,11-94,99-104H2,1-6,8,10H3.
What are the key properties of N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide?
N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide has a molecular weight of 2061.32 g/mol, XLogP of 37.80, 94 rotatable bonds, 4 hydrogen bond donors, and 12 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-dihydroxypyrrol-3-yl]-N-[8-[2-[8-[[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-methylprop-2-enamide is sourced from PubChem (CID 123240714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).