2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone

C18H20N2O4 — CID 122249548

IUPAC2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CC(Oc3cccc(C)n3)C2)cc1
InChIInChI=1S/C18H20N2O4/c1-13-4-3-5-17(19-13)24-16-10-20(11-16)18(21)12-23-15-8-6-14(22-2)7-9-15/h3-9,16H,10-12H2,1-2H3
InChIKeyHNZFBNRCKGVBSE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.07
Rot. Bonds6

About 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone

2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone (PubChem CID 122249548) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
PubChem CID122249548
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CC(Oc3cccc(C)n3)C2)cc1
InChIInChI=1S/C18H20N2O4/c1-13-4-3-5-17(19-13)24-16-10-20(11-16)18(21)12-23-15-8-6-14(22-2)7-9-15/h3-9,16H,10-12H2,1-2H3
InChIKeyHNZFBNRCKGVBSE-UHFFFAOYSA-N
XLogP2.07
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249550
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone
CID 75367635
4-bromo-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249599
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249402
3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one
CID 122249467
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one
CID 122249461
N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249711
2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251860
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide
CID 122249708

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone (CID 122249548) is 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone is COc1ccc(OCC(=O)N2CC(Oc3cccc(C)n3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The InChIKey is HNZFBNRCKGVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-4-3-5-17(19-13)24-16-10-20(11-16)18(21)12-23-15-8-6-14(22-2)7-9-15/h3-9,16H,10-12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone has a molecular weight of 328.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 122249548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).