N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

C16H31N2O2+ — CID 2446990

IUPACN-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)NC2CCCCCCC2)C[C@@H](C)O1
InChIInChI=1S/C16H30N2O2/c1-13-10-18(11-14(2)20-13)12-16(19)17-15-8-6-4-3-5-7-9-15/h13-15H,3-12H2,1-2H3,(H,17,19)/p+1/t13-,14-/m1/s1
InChIKeyLCZQFLJGCCWETI-ZIAGYGMSSA-O
MW283.44 g/mol
LogP0.91
Rot. Bonds3

About N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (PubChem CID 2446990) has the molecular formula C16H31N2O2+ and a molecular weight of 283.44 g/mol. Its IUPAC name is N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
PubChem CID2446990
Molecular FormulaC16H31N2O2+
Molecular Weight283.44 g/mol
Exact Mass283.24
IUPAC NameN-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)NC2CCCCCCC2)C[C@@H](C)O1
InChIInChI=1S/C16H30N2O2/c1-13-10-18(11-14(2)20-13)12-16(19)17-15-8-6-4-3-5-7-9-15/h13-15H,3-12H2,1-2H3,(H,17,19)/p+1/t13-,14-/m1/s1
InChIKeyLCZQFLJGCCWETI-ZIAGYGMSSA-O
XLogP0.91
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479160
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclodecylpropanamide
CID 122483649
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2682146
N-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503876
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
3-chloro-N-cycloheptylpropanamide
CID 5152151
N-cyclooctylbutanamide
CID 4614062
(2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 9249196

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (CID 2446990) is N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is C[C@@H]1C[NH+](CC(=O)NC2CCCCCCC2)C[C@@H](C)O1.
What is the InChIKey of N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The InChIKey is LCZQFLJGCCWETI-ZIAGYGMSSA-O. The full InChI is InChI=1S/C16H30N2O2/c1-13-10-18(11-14(2)20-13)12-16(19)17-15-8-6-4-3-5-7-9-15/h13-15H,3-12H2,1-2H3,(H,17,19)/p+1/t13-,14-/m1/s1.
What are the key properties of N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide has a molecular weight of 283.44 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is sourced from PubChem (CID 2446990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).