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

C18H20N2O3 — CID 122249550

IUPAC2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
SMILESCc1cccc(OC2CN(C(=O)COc3ccccc3C)C2)n1
InChIInChI=1S/C18H20N2O3/c1-13-6-3-4-8-16(13)22-12-18(21)20-10-15(11-20)23-17-9-5-7-14(2)19-17/h3-9,15H,10-12H2,1-2H3
InChIKeyVHZNHYZXNFSRMT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.37
Rot. Bonds5

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

2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone (PubChem CID 122249550) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
PubChem CID122249550
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
SMILESCc1cccc(OC2CN(C(=O)COc3ccccc3C)C2)n1
InChIInChI=1S/C18H20N2O3/c1-13-6-3-4-8-16(13)22-12-18(21)20-10-15(11-20)23-17-9-5-7-14(2)19-17/h3-9,15H,10-12H2,1-2H3
InChIKeyVHZNHYZXNFSRMT-UHFFFAOYSA-N
XLogP2.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247163
2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249548
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249402
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
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
1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone
CID 75367635
3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one
CID 122249467
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one
CID 122249461
(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249513
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone (CID 122249550) is 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone is Cc1cccc(OC2CN(C(=O)COc3ccccc3C)C2)n1.
What is the InChIKey of 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The InChIKey is VHZNHYZXNFSRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-6-3-4-8-16(13)22-12-18(21)20-10-15(11-20)23-17-9-5-7-14(2)19-17/h3-9,15H,10-12H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 122249550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).