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

C22H23NO5 — CID 2959288

IUPAC4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one
SMILESCc1ccccc1OC1C(=O)N(CC2CCCO2)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C22H23NO5/c1-14-5-2-3-7-17(14)28-21-20(15-8-9-18-19(11-15)27-13-26-18)23(22(21)24)12-16-6-4-10-25-16/h2-3,5,7-9,11,16,20-21H,4,6,10,12-13H2,1H3
InChIKeyNDGWYKONERCTGU-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.23
Rot. Bonds5

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

4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one (PubChem CID 2959288) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one
PubChem CID2959288
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one
SMILESCc1ccccc1OC1C(=O)N(CC2CCCO2)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C22H23NO5/c1-14-5-2-3-7-17(14)28-21-20(15-8-9-18-19(11-15)27-13-26-18)23(22(21)24)12-16-6-4-10-25-16/h2-3,5,7-9,11,16,20-21H,4,6,10,12-13H2,1H3
InChIKeyNDGWYKONERCTGU-UHFFFAOYSA-N
XLogP3.23
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one (CID 2959288) is 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one is Cc1ccccc1OC1C(=O)N(CC2CCCO2)C1c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one?
The InChIKey is NDGWYKONERCTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14-5-2-3-7-17(14)28-21-20(15-8-9-18-19(11-15)27-13-26-18)23(22(21)24)12-16-6-4-10-25-16/h2-3,5,7-9,11,16,20-21H,4,6,10,12-13H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one?
4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one has a molecular weight of 381.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one is sourced from PubChem (CID 2959288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).