[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone

C20H23NO4 — CID 70729315

IUPAC[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1
InChIInChI=1S/C20H23NO4/c1-3-11-24-19-10-5-4-9-18(19)20(22)21-13-17(14-21)25-16-8-6-7-15(12-16)23-2/h4-10,12,17H,3,11,13-14H2,1-2H3
InChIKeyNPSWAYZHIHHTBE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.39
Rot. Bonds7

About [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone

[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone (PubChem CID 70729315) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
PubChem CID70729315
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1
InChIInChI=1S/C20H23NO4/c1-3-11-24-19-10-5-4-9-18(19)20(22)21-13-17(14-21)25-16-8-6-7-15(12-16)23-2/h4-10,12,17H,3,11,13-14H2,1-2H3
InChIKeyNPSWAYZHIHHTBE-UHFFFAOYSA-N
XLogP3.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
CID 70775085
N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone
CID 118792922
[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-propoxyphenyl)methanone
CID 172657248
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155831
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide
CID 166348882

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone?
The IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone (CID 70729315) is [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone.
What is the SMILES notation for [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone?
The canonical SMILES for [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1.
What is the InChIKey of [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone?
The InChIKey is NPSWAYZHIHHTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-11-24-19-10-5-4-9-18(19)20(22)21-13-17(14-21)25-16-8-6-7-15(12-16)23-2/h4-10,12,17H,3,11,13-14H2,1-2H3.
What are the key properties of [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone?
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone is sourced from PubChem (CID 70729315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).