N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide

C29H56N2O — CID 22755885

IUPACN-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C=C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H56N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-27(32)23-26-24-28(2,3)31-29(4,5)25-26/h23,31H,6-22,24-25H2,1-5H3,(H,30,32)
InChIKeyCYLNRFVGPVKDMI-UHFFFAOYSA-N
MW448.78 g/mol
LogP8.23
Rot. Bonds18

About N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide

N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide (PubChem CID 22755885) has the molecular formula C29H56N2O and a molecular weight of 448.78 g/mol. Its IUPAC name is N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide.

Molecular Properties

Compound NameN-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
PubChem CID22755885
Molecular FormulaC29H56N2O
Molecular Weight448.78 g/mol
Exact Mass448.44
IUPAC NameN-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C=C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H56N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-27(32)23-26-24-28(2,3)31-29(4,5)25-26/h23,31H,6-22,24-25H2,1-5H3,(H,30,32)
InChIKeyCYLNRFVGPVKDMI-UHFFFAOYSA-N
XLogP8.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 58.23
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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Related Compounds

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CID 102438927
1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 142858822
carbonic acid;N-hexylprop-2-enamide
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(E)-N-hexyl-3-hydroxybut-2-enamide
CID 144650369
N'-hexylbut-2-enediamide
CID 154301502
(Z)-N'-decylbut-2-enediamide
CID 87339219
N,N'-diheptyloxamide
CID 3417538
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
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N-[4-(heptanoylamino)butyl]heptanamide
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CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide?
The IUPAC name of N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide (CID 22755885) is N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide.
What is the SMILES notation for N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide?
The canonical SMILES for N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide is CCCCCCCCCCCCCCCCCCNC(=O)C=C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide?
The InChIKey is CYLNRFVGPVKDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-27(32)23-26-24-28(2,3)31-29(4,5)25-26/h23,31H,6-22,24-25H2,1-5H3,(H,30,32).
What are the key properties of N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide?
N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide has a molecular weight of 448.78 g/mol, XLogP of 8.23, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyl-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide is sourced from PubChem (CID 22755885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).