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

C22H23NO5 — CID 4916209

IUPAC4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(C3CCCC3)C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H23NO5/c1-25-16-7-9-17(10-8-16)28-21-20(23(22(21)24)15-4-2-3-5-15)14-6-11-18-19(12-14)27-13-26-18/h6-12,15,20-21H,2-5,13H2,1H3
InChIKeyHRJAKSZTKNPKLV-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.70
Rot. Bonds5

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

4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one (PubChem CID 4916209) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one
PubChem CID4916209
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(C3CCCC3)C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H23NO5/c1-25-16-7-9-17(10-8-16)28-21-20(23(22(21)24)15-4-2-3-5-15)14-6-11-18-19(12-14)27-13-26-18/h6-12,15,20-21H,2-5,13H2,1H3
InChIKeyHRJAKSZTKNPKLV-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one (CID 4916209) is 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one is COc1ccc(OC2C(=O)N(C3CCCC3)C2c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one?
The InChIKey is HRJAKSZTKNPKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-25-16-7-9-17(10-8-16)28-21-20(23(22(21)24)15-4-2-3-5-15)14-6-11-18-19(12-14)27-13-26-18/h6-12,15,20-21H,2-5,13H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one?
4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one has a molecular weight of 381.43 g/mol, XLogP of 3.70, 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)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one is sourced from PubChem (CID 4916209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).