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

C33H60N4O4 — CID 21243442

IUPACN'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCCCCCCCCCC1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C33H60N4O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-28(38)37(31(26)41)35-30(40)29(39)34-27-24-32(2,3)36-33(4,5)25-27/h26-27,36H,6-25H2,1-5H3,(H,34,39)(H,35,40)
InChIKeyQYYCRICGMTUECR-UHFFFAOYSA-N
MW576.87 g/mol
LogP6.47
Rot. Bonds19

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

N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 21243442) has the molecular formula C33H60N4O4 and a molecular weight of 576.87 g/mol. Its IUPAC name is N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID21243442
Molecular FormulaC33H60N4O4
Molecular Weight576.87 g/mol
Exact Mass576.46
IUPAC NameN'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCCCCCCCCCC1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C33H60N4O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-28(38)37(31(26)41)35-30(40)29(39)34-27-24-32(2,3)36-33(4,5)25-27/h26-27,36H,6-25H2,1-5H3,(H,34,39)(H,35,40)
InChIKeyQYYCRICGMTUECR-UHFFFAOYSA-N
XLogP6.47
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.87
LogP ≤ 56.47
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'}

Analyze N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 21243442) is N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CCCCCCCCCCCCCCCCCCC1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is QYYCRICGMTUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N4O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-28(38)37(31(26)41)35-30(40)29(39)34-27-24-32(2,3)36-33(4,5)25-27/h26-27,36H,6-25H2,1-5H3,(H,34,39)(H,35,40).
What are the key properties of N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(3-octadecyl-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 6.47, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 21243442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).