N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C68H122N8O8 — CID 58788045

IUPACN'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)C1C(CCCCCCCCCCCCCCCC)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)C1C
InChIInChI=1S/C68H122N8O8/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(3)43-55-56(64(84)76(63(55)83)72-60(80)58(78)70-53-47-67(9,10)74-68(11,12)48-53)51(42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-2)44-54-50(4)61(81)75(62(54)82)71-59(79)57(77)69-52-45-65(5,6)73-66(7,8)46-52/h49-56,73-74H,13-48H2,1-12H3,(H,69,77)(H,70,78)(H,71,79)(H,72,80)
InChIKeyBOXLCPYAHRSBGR-UHFFFAOYSA-N
MW1179.77 g/mol
LogP12.90
Rot. Bonds39

About N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 58788045) has the molecular formula C68H122N8O8 and a molecular weight of 1179.77 g/mol. Its IUPAC name is N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID58788045
Molecular FormulaC68H122N8O8
Molecular Weight1179.77 g/mol
Exact Mass1178.94
IUPAC NameN'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)C1C(CCCCCCCCCCCCCCCC)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)C1C
InChIInChI=1S/C68H122N8O8/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(3)43-55-56(64(84)76(63(55)83)72-60(80)58(78)70-53-47-67(9,10)74-68(11,12)48-53)51(42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-2)44-54-50(4)61(81)75(62(54)82)71-59(79)57(77)69-52-45-65(5,6)73-66(7,8)46-52/h49-56,73-74H,13-48H2,1-12H3,(H,69,77)(H,70,78)(H,71,79)(H,72,80)
InChIKeyBOXLCPYAHRSBGR-UHFFFAOYSA-N
XLogP12.90
TPSA215.22 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds39
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.77
LogP ≤ 512.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 58788045) is N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CCCCCCCCCCCCCCCCC(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)C1C(CCCCCCCCCCCCCCCC)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)C1C.
What is the InChIKey of N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is BOXLCPYAHRSBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H122N8O8/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(3)43-55-56(64(84)76(63(55)83)72-60(80)58(78)70-53-47-67(9,10)74-68(11,12)48-53)51(42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-2)44-54-50(4)61(81)75(62(54)82)71-59(79)57(77)69-52-45-65(5,6)73-66(7,8)46-52/h49-56,73-74H,13-48H2,1-12H3,(H,69,77)(H,70,78)(H,71,79)(H,72,80).
What are the key properties of N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 1179.77 g/mol, XLogP of 12.90, 39 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 58788045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).