2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one

C20H23NO4 — CID 70773882

IUPAC2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one
SMILESCOc1cccc(OC(C)C(=O)N2CC(Oc3ccccc3C)C2)c1
InChIInChI=1S/C20H23NO4/c1-14-7-4-5-10-19(14)25-18-12-21(13-18)20(22)15(2)24-17-9-6-8-16(11-17)23-3/h4-11,15,18H,12-13H2,1-3H3
InChIKeyCPJWJTGKLCNAGU-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.06
Rot. Bonds6

About 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one

2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one (PubChem CID 70773882) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one
PubChem CID70773882
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one
SMILESCOc1cccc(OC(C)C(=O)N2CC(Oc3ccccc3C)C2)c1
InChIInChI=1S/C20H23NO4/c1-14-7-4-5-10-19(14)25-18-12-21(13-18)20(22)15(2)24-17-9-6-8-16(11-17)23-3/h4-11,15,18H,12-13H2,1-3H3
InChIKeyCPJWJTGKLCNAGU-UHFFFAOYSA-N
XLogP3.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
CID 131900131
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 70788889
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97198398
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 70742909
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 126438416
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one (CID 70773882) is 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one is COc1cccc(OC(C)C(=O)N2CC(Oc3ccccc3C)C2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one?
The InChIKey is CPJWJTGKLCNAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-7-4-5-10-19(14)25-18-12-21(13-18)20(22)15(2)24-17-9-6-8-16(11-17)23-3/h4-11,15,18H,12-13H2,1-3H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one?
2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one has a molecular weight of 341.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 70773882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).