2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C15H19NO5 — CID 17310233

IUPAC2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc3c(c2)OCO3)CC(C)O1
InChIInChI=1S/C15H19NO5/c1-10-6-16(7-11(2)21-10)15(17)8-18-12-3-4-13-14(5-12)20-9-19-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyQHLSIBLMIOFKEI-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.43
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 17310233) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID17310233
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc3c(c2)OCO3)CC(C)O1
InChIInChI=1S/C15H19NO5/c1-10-6-16(7-11(2)21-10)15(17)8-18-12-3-4-13-14(5-12)20-9-19-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyQHLSIBLMIOFKEI-UHFFFAOYSA-N
XLogP1.43
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580378
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]ethanone
CID 119055388
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
2-(1,3-benzodioxol-5-yloxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 94283082

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 17310233) is 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)COc2ccc3c(c2)OCO3)CC(C)O1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is QHLSIBLMIOFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10-6-16(7-11(2)21-10)15(17)8-18-12-3-4-13-14(5-12)20-9-19-13/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 293.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 17310233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).