N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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

C70H126N8O8 — CID 54343414

About N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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-ethyl-4-[2-[4-(2-ethyloctadecyl)-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 54343414) has the molecular formula C70H126N8O8 and a molecular weight of 1207.83 g/mol. Its IUPAC name is N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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 Name: N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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: 54343414
• Molecular Formula: C70H126N8O8
• Molecular Weight: 1207.83 g/mol
• Exact Mass: 1206.97
• IUPAC Name: N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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
• SMILES: CCCCCCCCCCCCCCCCC(CC)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)C1CC
• InChI: InChI=1S/C70H126N8O8/c1-13-17-19-21-23-25-27-29-31-33-35-37-39-41-43-51(15-3)45-57-58(66(86)78(65(57)85)74-62(82)60(80)72-54-49-69(9,10)76-70(11,12)50-54)52(44-42-40-38-36-34-32-30-28-26-24-22-20-18-14-2)46-56-55(16-4)63(83)77(64(56)84)73-61(81)59(79)71-53-47-67(5,6)75-68(7,8)48-53/h51-58,75-76H,13-50H2,1-12H3,(H,71,79)(H,72,80)(H,73,81)(H,74,82)
• InChIKey: DXFPOGCOVCXNEO-UHFFFAOYSA-N
• XLogP: 13.68
• TPSA: 215.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 41
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.83
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

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'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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-ethyl-4-[2-[4-(2-ethyloctadecyl)-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 54343414) is N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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-ethyl-4-[2-[4-(2-ethyloctadecyl)-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-ethyl-4-[2-[4-(2-ethyloctadecyl)-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(CC)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)C1CC.

What is the InChIKey of N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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 DXFPOGCOVCXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H126N8O8/c1-13-17-19-21-23-25-27-29-31-33-35-37-39-41-43-51(15-3)45-57-58(66(86)78(65(57)85)74-62(82)60(80)72-54-49-69(9,10)76-70(11,12)50-54)52(44-42-40-38-36-34-32-30-28-26-24-22-20-18-14-2)46-56-55(16-4)63(83)77(64(56)84)73-61(81)59(79)71-53-47-67(5,6)75-68(7,8)48-53/h51-58,75-76H,13-50H2,1-12H3,(H,71,79)(H,72,80)(H,73,81)(H,74,82).

What are the key properties of N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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-ethyl-4-[2-[4-(2-ethyloctadecyl)-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 1207.83 g/mol, XLogP of 13.68, 41 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-ethyl-4-[2-[4-(2-ethyloctadecyl)-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 54343414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).