N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide

C25H50N2O2 — CID 20590975

IUPACN-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCC)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C25H50N2O2/c1-7-9-11-12-13-14-15-16-17-18-23(28)26(19-10-8-2)22-20-24(3,4)27(29)25(5,6)21-22/h22,29H,7-21H2,1-6H3
InChIKeyCVQSLXAUWBJCGQ-UHFFFAOYSA-N
MW410.69 g/mol
LogP6.95
Rot. Bonds14

About N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide

N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide (PubChem CID 20590975) has the molecular formula C25H50N2O2 and a molecular weight of 410.69 g/mol. Its IUPAC name is N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide.

Molecular Properties

Compound NameN-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide
PubChem CID20590975
Molecular FormulaC25H50N2O2
Molecular Weight410.69 g/mol
Exact Mass410.39
IUPAC NameN-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCC)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C25H50N2O2/c1-7-9-11-12-13-14-15-16-17-18-23(28)26(19-10-8-2)22-20-24(3,4)27(29)25(5,6)21-22/h22,29H,7-21H2,1-6H3
InChIKeyCVQSLXAUWBJCGQ-UHFFFAOYSA-N
XLogP6.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide?
The IUPAC name of N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide (CID 20590975) is N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide.
What is the SMILES notation for N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide?
The canonical SMILES for N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide is CCCCCCCCCCCC(=O)N(CCCC)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide?
The InChIKey is CVQSLXAUWBJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O2/c1-7-9-11-12-13-14-15-16-17-18-23(28)26(19-10-8-2)22-20-24(3,4)27(29)25(5,6)21-22/h22,29H,7-21H2,1-6H3.
What are the key properties of N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide?
N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide has a molecular weight of 410.69 g/mol, XLogP of 6.95, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide is sourced from PubChem (CID 20590975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).