N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C33H60N4O4 — CID 70396389

IUPACN'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCCCCCCCC(C)C1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C33H60N4O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(2)27-22-28(38)37(31(27)41)35-30(40)29(39)34-26-23-32(3,4)36-33(5,6)24-26/h25-27,36H,7-24H2,1-6H3,(H,34,39)(H,35,40)
InChIKeyDIWUVGYIFYYGOW-UHFFFAOYSA-N
MW576.87 g/mol
LogP6.33
Rot. Bonds18

About N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 70396389) has the molecular formula C33H60N4O4 and a molecular weight of 576.87 g/mol. Its IUPAC name is N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID70396389
Molecular FormulaC33H60N4O4
Molecular Weight576.87 g/mol
Exact Mass576.46
IUPAC NameN'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCCCCCCCC(C)C1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C33H60N4O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(2)27-22-28(38)37(31(27)41)35-30(40)29(39)34-26-23-32(3,4)36-33(5,6)24-26/h25-27,36H,7-24H2,1-6H3,(H,34,39)(H,35,40)
InChIKeyDIWUVGYIFYYGOW-UHFFFAOYSA-N
XLogP6.33
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.87
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 70396389) is N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CCCCCCCCCCCCCCCCC(C)C1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is DIWUVGYIFYYGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N4O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(2)27-22-28(38)37(31(27)41)35-30(40)29(39)34-26-23-32(3,4)36-33(5,6)24-26/h25-27,36H,7-24H2,1-6H3,(H,34,39)(H,35,40).
What are the key properties of N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 576.87 g/mol, XLogP of 6.33, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-octadecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 70396389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).