1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone

C18H20N2O4 — CID 25345417

IUPAC1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
SMILESC[C@H]1CN(C(=O)COc2cccc(Oc3ccccn3)c2)CCO1
InChIInChI=1S/C18H20N2O4/c1-14-12-20(9-10-22-14)18(21)13-23-15-5-4-6-16(11-15)24-17-7-2-3-8-19-17/h2-8,11,14H,9-10,12-13H2,1H3/t14-/m0/s1
InChIKeyLIEHLPYRDOOEFM-AWEZNQCLSA-N
MW328.37 g/mol
LogP2.50
Rot. Bonds5

About 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone

1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone (PubChem CID 25345417) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
PubChem CID25345417
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
SMILESC[C@H]1CN(C(=O)COc2cccc(Oc3ccccn3)c2)CCO1
InChIInChI=1S/C18H20N2O4/c1-14-12-20(9-10-22-14)18(21)13-23-15-5-4-6-16(11-15)24-17-7-2-3-8-19-17/h2-8,11,14H,9-10,12-13H2,1H3/t14-/m0/s1
InChIKeyLIEHLPYRDOOEFM-AWEZNQCLSA-N
XLogP2.50
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-methylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36629682
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
CID 97338117
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide
CID 94512704
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 82808741
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119538496

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone?
The IUPAC name of 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone (CID 25345417) is 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone.
What is the SMILES notation for 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone?
The canonical SMILES for 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone is C[C@H]1CN(C(=O)COc2cccc(Oc3ccccn3)c2)CCO1.
What is the InChIKey of 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone?
The InChIKey is LIEHLPYRDOOEFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-14-12-20(9-10-22-14)18(21)13-23-15-5-4-6-16(11-15)24-17-7-2-3-8-19-17/h2-8,11,14H,9-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone?
1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone has a molecular weight of 328.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone is sourced from PubChem (CID 25345417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).