2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate

C58H104N8O16 — CID 123308723

IUPAC2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)N(C(=O)NCCCCCCC(C)(C)NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(C)(C)CCCCCCNC(=O)N(CCCCCCNC(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(O)OCCOC(=O)C=C
InChIInChI=1S/C58H104N8O16/c1-15-45(67)77-35-37-79-51(73)63(34-28-22-21-27-33-61-49(71)81-43-39-55(7,8)65(75)56(9,10)40-43)47(69)59-31-25-20-18-24-30-54(5,6)64(52(74)80-38-36-78-46(68)16-2)48(70)60-32-26-19-17-23-29-53(3,4)62-50(72)82-44-41-57(11,12)66(76)58(13,14)42-44/h15-16,43-44,51,73,75-76H,1-2,17-42H2,3-14H3,(H,59,69)(H,60,70)(H,61,71)(H,62,72)
InChIKeyYAFMJIDFBNJBNV-UHFFFAOYSA-N
MW1169.51 g/mol
LogP9.19
Rot. Bonds35

About 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate

2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate (PubChem CID 123308723) has the molecular formula C58H104N8O16 and a molecular weight of 1169.51 g/mol. Its IUPAC name is 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate
PubChem CID123308723
Molecular FormulaC58H104N8O16
Molecular Weight1169.51 g/mol
Exact Mass1168.76
IUPAC Name2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)N(C(=O)NCCCCCCC(C)(C)NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(C)(C)CCCCCCNC(=O)N(CCCCCCNC(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(O)OCCOC(=O)C=C
InChIInChI=1S/C58H104N8O16/c1-15-45(67)77-35-37-79-51(73)63(34-28-22-21-27-33-61-49(71)81-43-39-55(7,8)65(75)56(9,10)40-43)47(69)59-31-25-20-18-24-30-54(5,6)64(52(74)80-38-36-78-46(68)16-2)48(70)60-32-26-19-17-23-29-53(3,4)62-50(72)82-44-41-57(11,12)66(76)58(13,14)42-44/h15-16,43-44,51,73,75-76H,1-2,17-42H2,3-14H3,(H,59,69)(H,60,70)(H,61,71)(H,62,72)
InChIKeyYAFMJIDFBNJBNV-UHFFFAOYSA-N
XLogP9.19
TPSA296.64 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001169.51
LogP ≤ 59.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate with MolForge

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Related Compounds

[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 145111837
2-[6-[[6-(diethylaminooxycarbonylamino)hexyl-(2-prop-2-enoyloxyethoxycarbonyl)carbamoyl]amino]hexyl-[8-(diethylaminooxycarbonylamino)octanoyl]carbamoyl]oxyethyl prop-2-enoate
CID 157236371
[(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate
CID 146513220
[2-methyl-3-prop-2-enoyloxy-2-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxycarbonylamino]propyl] 3-[butyl(methyl)amino]propanoate
CID 131974115
2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 161111351
2-[6-[[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethoxycarbonylamino]hexyl-(2-prop-2-enoyloxyethoxycarbonyl)carbamoyl]amino]hexyl-[8-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethoxycarbonylamino]octanoyl]carbamoyl]oxyethyl prop-2-enoate
CID 160888896
2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate
CID 140879603
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
CID 54571044
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate (CID 123308723) is 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)N(C(=O)NCCCCCCC(C)(C)NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(C)(C)CCCCCCNC(=O)N(CCCCCCNC(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(O)OCCOC(=O)C=C.
What is the InChIKey of 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate?
The InChIKey is YAFMJIDFBNJBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H104N8O16/c1-15-45(67)77-35-37-79-51(73)63(34-28-22-21-27-33-61-49(71)81-43-39-55(7,8)65(75)56(9,10)40-43)47(69)59-31-25-20-18-24-30-54(5,6)64(52(74)80-38-36-78-46(68)16-2)48(70)60-32-26-19-17-23-29-53(3,4)62-50(72)82-44-41-57(11,12)66(76)58(13,14)42-44/h15-16,43-44,51,73,75-76H,1-2,17-42H2,3-14H3,(H,59,69)(H,60,70)(H,61,71)(H,62,72).
What are the key properties of 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate?
2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate has a molecular weight of 1169.51 g/mol, XLogP of 9.19, 35 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate is sourced from PubChem (CID 123308723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).