1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone

C21H22N2O3 — CID 70750405

IUPAC1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCOc1ccccc1OC1CN(C(=O)Cc2cn(C)c3ccccc23)C1
InChIInChI=1S/C21H22N2O3/c1-22-12-15(17-7-3-4-8-18(17)22)11-21(24)23-13-16(14-23)26-20-10-6-5-9-19(20)25-2/h3-10,12,16H,11,13-14H2,1-2H3
InChIKeyJYNXESJHZHUABV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.02
Rot. Bonds5

About 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone

1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 70750405) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID70750405
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCOc1ccccc1OC1CN(C(=O)Cc2cn(C)c3ccccc23)C1
InChIInChI=1S/C21H22N2O3/c1-22-12-15(17-7-3-4-8-18(17)22)11-21(24)23-13-16(14-23)26-20-10-6-5-9-19(20)25-2/h3-10,12,16H,11,13-14H2,1-2H3
InChIKeyJYNXESJHZHUABV-UHFFFAOYSA-N
XLogP3.02
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(1-methylindol-3-yl)ethanone;formic acid
CID 172912030
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122345740
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122267952
2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330826
2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
CID 165435942
(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155500073
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122260188

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone (CID 70750405) is 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone is COc1ccccc1OC1CN(C(=O)Cc2cn(C)c3ccccc23)C1.
What is the InChIKey of 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is JYNXESJHZHUABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-22-12-15(17-7-3-4-8-18(17)22)11-21(24)23-13-16(14-23)26-20-10-6-5-9-19(20)25-2/h3-10,12,16H,11,13-14H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 350.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 70750405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).