4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one

C22H23NO6 — CID 4915862

IUPAC4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(CC3CCCO3)C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H23NO6/c1-25-15-5-7-16(8-6-15)29-21-20(14-4-9-18-19(11-14)28-13-27-18)23(22(21)24)12-17-3-2-10-26-17/h4-9,11,17,20-21H,2-3,10,12-13H2,1H3
InChIKeyXDGXKYVFNMZNRW-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.93
Rot. Bonds6

About 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one

4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one (PubChem CID 4915862) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one
PubChem CID4915862
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(CC3CCCO3)C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H23NO6/c1-25-15-5-7-16(8-6-15)29-21-20(14-4-9-18-19(11-14)28-13-27-18)23(22(21)24)12-17-3-2-10-26-17/h4-9,11,17,20-21H,2-3,10,12-13H2,1H3
InChIKeyXDGXKYVFNMZNRW-UHFFFAOYSA-N
XLogP2.93
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one
CID 4916209
(3S,4R)-4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-3-(3-methoxyphenoxy)-1-[[(2R)-oxolan-2-yl]methyl]azetidin-2-one
CID 99845605
4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one
CID 2942982
(3R,4R)-4-(2,4-dimethoxyphenyl)-3-(3-nitrophenoxy)-1-[[(2R)-oxolan-2-yl]methyl]azetidin-2-one
CID 129377166
(5R)-5-(1,3-benzodioxol-5-yl)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione
CID 97037932
(5R)-5-(1,3-benzodioxol-5-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione
CID 1125726
(3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenoxy)azetidin-2-one
CID 2201304
(2R)-2-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038616
(3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylhydrazinyl)-3-phenoxyazetidin-2-one
CID 102056068
4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108612339
(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 8601366
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one (CID 4915862) is 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one is COc1ccc(OC2C(=O)N(CC3CCCO3)C2c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one?
The InChIKey is XDGXKYVFNMZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-25-15-5-7-16(8-6-15)29-21-20(14-4-9-18-19(11-14)28-13-27-18)23(22(21)24)12-17-3-2-10-26-17/h4-9,11,17,20-21H,2-3,10,12-13H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one?
4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one has a molecular weight of 397.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one is sourced from PubChem (CID 4915862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).