N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide

C21H40N2O — CID 22755883

IUPACN-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide
SMILESCCCCCCNC(=O)C(CCCC)=C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H40N2O/c1-7-9-11-12-14-22-19(24)18(13-10-8-2)17-15-20(3,4)23-21(5,6)16-17/h23H,7-16H2,1-6H3,(H,22,24)
InChIKeyQDWRJRBYHGDYCL-UHFFFAOYSA-N
MW336.56 g/mol
LogP5.11
Rot. Bonds9

About N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide

N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide (PubChem CID 22755883) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide.

Molecular Properties

Compound NameN-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide
PubChem CID22755883
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC NameN-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide
SMILESCCCCCCNC(=O)C(CCCC)=C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H40N2O/c1-7-9-11-12-14-22-19(24)18(13-10-8-2)17-15-20(3,4)23-21(5,6)16-17/h23H,7-16H2,1-6H3,(H,22,24)
InChIKeyQDWRJRBYHGDYCL-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide?
The IUPAC name of N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide (CID 22755883) is N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide.
What is the SMILES notation for N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide?
The canonical SMILES for N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide is CCCCCCNC(=O)C(CCCC)=C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide?
The InChIKey is QDWRJRBYHGDYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-7-9-11-12-14-22-19(24)18(13-10-8-2)17-15-20(3,4)23-21(5,6)16-17/h23H,7-16H2,1-6H3,(H,22,24).
What are the key properties of N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide?
N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide has a molecular weight of 336.56 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hexanamide is sourced from PubChem (CID 22755883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).