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

C27H48N4O4 — CID 70396486

IUPACN'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCC(C)C1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C27H48N4O4/c1-7-8-9-10-11-12-13-14-15-19(2)21-16-22(32)31(25(21)35)29-24(34)23(33)28-20-17-26(3,4)30-27(5,6)18-20/h19-21,30H,7-18H2,1-6H3,(H,28,33)(H,29,34)
InChIKeyDKZBRNPYFBIUAF-UHFFFAOYSA-N
MW492.71 g/mol
LogP3.98
Rot. Bonds12

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

N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 70396486) has the molecular formula C27H48N4O4 and a molecular weight of 492.71 g/mol. Its IUPAC name is N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID70396486
Molecular FormulaC27H48N4O4
Molecular Weight492.71 g/mol
Exact Mass492.37
IUPAC NameN'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCCC(C)C1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C27H48N4O4/c1-7-8-9-10-11-12-13-14-15-19(2)21-16-22(32)31(25(21)35)29-24(34)23(33)28-20-17-26(3,4)30-27(5,6)18-20/h19-21,30H,7-18H2,1-6H3,(H,28,33)(H,29,34)
InChIKeyDKZBRNPYFBIUAF-UHFFFAOYSA-N
XLogP3.98
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 53.98
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-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 70396486) is N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CCCCCCCCCCC(C)C1CC(=O)N(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is DKZBRNPYFBIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N4O4/c1-7-8-9-10-11-12-13-14-15-19(2)21-16-22(32)31(25(21)35)29-24(34)23(33)28-20-17-26(3,4)30-27(5,6)18-20/h19-21,30H,7-18H2,1-6H3,(H,28,33)(H,29,34).
What are the key properties of N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 492.71 g/mol, XLogP of 3.98, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-dodecan-2-yl-2,5-dioxopyrrolidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 70396486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).