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

C70H126N8O8 — CID 20768160

IUPACN'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C(CCCCCCCCCCCCCCCC)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C
InChIInChI=1S/C70H126N8O8/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-51(3)45-57-58(66(86)78(65(57)85)74-62(82)60(80)72-55-49-69(9,10)76(14)70(11,12)50-55)53(44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2)46-56-52(4)63(83)77(64(56)84)73-61(81)59(79)71-54-47-67(5,6)75(13)68(7,8)48-54/h51-58H,15-50H2,1-14H3,(H,71,79)(H,72,80)(H,73,81)(H,74,82)
InChIKeyGKUSVTXIHOEXMY-UHFFFAOYSA-N
MW1207.83 g/mol
LogP13.58
Rot. Bonds39

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

N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide (PubChem CID 20768160) has the molecular formula C70H126N8O8 and a molecular weight of 1207.83 g/mol. Its IUPAC name is N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
PubChem CID20768160
Molecular FormulaC70H126N8O8
Molecular Weight1207.83 g/mol
Exact Mass1206.97
IUPAC NameN'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C(CCCCCCCCCCCCCCCC)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C
InChIInChI=1S/C70H126N8O8/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-51(3)45-57-58(66(86)78(65(57)85)74-62(82)60(80)72-55-49-69(9,10)76(14)70(11,12)50-55)53(44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2)46-56-52(4)63(83)77(64(56)84)73-61(81)59(79)71-54-47-67(5,6)75(13)68(7,8)48-54/h51-58H,15-50H2,1-14H3,(H,71,79)(H,72,80)(H,73,81)(H,74,82)
InChIKeyGKUSVTXIHOEXMY-UHFFFAOYSA-N
XLogP13.58
TPSA197.64 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds39
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.83
LogP ≤ 513.58
H-Bond Donors ≤ 54
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-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide (CID 20768160) is N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide is CCCCCCCCCCCCCCCCC(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C(CCCCCCCCCCCCCCCC)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(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-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?
The InChIKey is GKUSVTXIHOEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H126N8O8/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-51(3)45-57-58(66(86)78(65(57)85)74-62(82)60(80)72-55-49-69(9,10)76(14)70(11,12)50-55)53(44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2)46-56-52(4)63(83)77(64(56)84)73-61(81)59(79)71-54-47-67(5,6)75(13)68(7,8)48-54/h51-58H,15-50H2,1-14H3,(H,71,79)(H,72,80)(H,73,81)(H,74,82).
What are the key properties of N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?
N'-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide has a molecular weight of 1207.83 g/mol, XLogP of 13.58, 39 rotatable bonds, 4 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-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 20768160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).