N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide

C101H174N6O10 — CID 123299366

IUPACN-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide
SMILESCCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)C=CC2=O)C1CCCCCCCCn1c(O)cc(N(CCC(C)CC(C)(C)CN(C(C)=O)c2cc(O)n(CCCCCCCCC3C(CCCCCCCCN4C(=O)C=CC4=O)CCC(CCCCCC)C3CCCCCCCC)c2O)C(C)=O)c1O
InChIInChI=1S/C101H174N6O10/c1-10-14-18-22-34-46-58-87-83(54-42-20-16-12-3)62-64-85(56-44-32-24-28-38-50-71-103-93(110)66-67-94(103)111)89(87)60-48-36-26-30-40-52-73-105-97(114)76-91(99(105)116)102(81(6)108)75-70-80(5)78-101(8,9)79-107(82(7)109)92-77-98(115)106(100(92)117)74-53-41-31-27-37-49-61-90-86(57-45-33-25-29-39-51-72-104-95(112)68-69-96(104)113)65-63-84(55-43-21-17-13-4)88(90)59-47-35-23-19-15-11-2/h66-69,76-77,80,83-90,114-117H,10-65,70-75,78-79H2,1-9H3
InChIKeyMPCMHOWGWCDSKZ-UHFFFAOYSA-N
MW1632.53 g/mol
LogP26.69
Rot. Bonds69

About N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide

N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide (PubChem CID 123299366) has the molecular formula C101H174N6O10 and a molecular weight of 1632.53 g/mol. Its IUPAC name is N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide
PubChem CID123299366
Molecular FormulaC101H174N6O10
Molecular Weight1632.53 g/mol
Exact Mass1631.33
IUPAC NameN-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide
SMILESCCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)C=CC2=O)C1CCCCCCCCn1c(O)cc(N(CCC(C)CC(C)(C)CN(C(C)=O)c2cc(O)n(CCCCCCCCC3C(CCCCCCCCN4C(=O)C=CC4=O)CCC(CCCCCC)C3CCCCCCCC)c2O)C(C)=O)c1O
InChIInChI=1S/C101H174N6O10/c1-10-14-18-22-34-46-58-87-83(54-42-20-16-12-3)62-64-85(56-44-32-24-28-38-50-71-103-93(110)66-67-94(103)111)89(87)60-48-36-26-30-40-52-73-105-97(114)76-91(99(105)116)102(81(6)108)75-70-80(5)78-101(8,9)79-107(82(7)109)92-77-98(115)106(100(92)117)74-53-41-31-27-37-49-61-90-86(57-45-33-25-29-39-51-72-104-95(112)68-69-96(104)113)65-63-84(55-43-21-17-13-4)88(90)59-47-35-23-19-15-11-2/h66-69,76-77,80,83-90,114-117H,10-65,70-75,78-79H2,1-9H3
InChIKeyMPCMHOWGWCDSKZ-UHFFFAOYSA-N
XLogP26.69
TPSA206.16 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds69
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.53
LogP ≤ 526.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide?
The IUPAC name of N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide (CID 123299366) is N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide.
What is the SMILES notation for N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide?
The canonical SMILES for N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide is CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)C=CC2=O)C1CCCCCCCCn1c(O)cc(N(CCC(C)CC(C)(C)CN(C(C)=O)c2cc(O)n(CCCCCCCCC3C(CCCCCCCCN4C(=O)C=CC4=O)CCC(CCCCCC)C3CCCCCCCC)c2O)C(C)=O)c1O.
What is the InChIKey of N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide?
The InChIKey is MPCMHOWGWCDSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H174N6O10/c1-10-14-18-22-34-46-58-87-83(54-42-20-16-12-3)62-64-85(56-44-32-24-28-38-50-71-103-93(110)66-67-94(103)111)89(87)60-48-36-26-30-40-52-73-105-97(114)76-91(99(105)116)102(81(6)108)75-70-80(5)78-101(8,9)79-107(82(7)109)92-77-98(115)106(100(92)117)74-53-41-31-27-37-49-61-90-86(57-45-33-25-29-39-51-72-104-95(112)68-69-96(104)113)65-63-84(55-43-21-17-13-4)88(90)59-47-35-23-19-15-11-2/h66-69,76-77,80,83-90,114-117H,10-65,70-75,78-79H2,1-9H3.
What are the key properties of N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide?
N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide has a molecular weight of 1632.53 g/mol, XLogP of 26.69, 69 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[acetyl-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide is sourced from PubChem (CID 123299366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).