2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C14H22N3O4+ — CID 2123025

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESC[C@H]1C[NH+](CC(=O)NC(=O)NCc2ccco2)C[C@H](C)O1
InChIInChI=1S/C14H21N3O4/c1-10-7-17(8-11(2)21-10)9-13(18)16-14(19)15-6-12-4-3-5-20-12/h3-5,10-11H,6-9H2,1-2H3,(H2,15,16,18,19)/p+1/t10-,11-/m0/s1
InChIKeyRWPKLHMFFWEHLC-QWRGUYRKSA-O
MW296.35 g/mol
LogP-0.70
Rot. Bonds4

About 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2123025) has the molecular formula C14H22N3O4+ and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2123025
Molecular FormulaC14H22N3O4+
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESC[C@H]1C[NH+](CC(=O)NC(=O)NCc2ccco2)C[C@H](C)O1
InChIInChI=1S/C14H21N3O4/c1-10-7-17(8-11(2)21-10)9-13(18)16-14(19)15-6-12-4-3-5-20-12/h3-5,10-11H,6-9H2,1-2H3,(H2,15,16,18,19)/p+1/t10-,11-/m0/s1
InChIKeyRWPKLHMFFWEHLC-QWRGUYRKSA-O
XLogP-0.70
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698399
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8898882
2-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 98727445
2-(2,6-dimethylmorpholin-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 108503950
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62637062
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66289917
N-(furan-2-ylmethylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 2125852
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2123025) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is C[C@H]1C[NH+](CC(=O)NC(=O)NCc2ccco2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is RWPKLHMFFWEHLC-QWRGUYRKSA-O. The full InChI is InChI=1S/C14H21N3O4/c1-10-7-17(8-11(2)21-10)9-13(18)16-14(19)15-6-12-4-3-5-20-12/h3-5,10-11H,6-9H2,1-2H3,(H2,15,16,18,19)/p+1/t10-,11-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 296.35 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2123025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).