2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate

C20H19NO6 — CID 2404400

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1OCCC(=O)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19NO6/c1-25-16-8-4-5-9-17(16)26-12-10-18(22)27-13-11-21-19(23)14-6-2-3-7-15(14)20(21)24/h2-9H,10-13H2,1H3
InChIKeySZNJERQQXRAOJL-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.30
Rot. Bonds8

About 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate

2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate (PubChem CID 2404400) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate
PubChem CID2404400
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1OCCC(=O)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19NO6/c1-25-16-8-4-5-9-17(16)26-12-10-18(22)27-13-11-21-19(23)14-6-2-3-7-15(14)20(21)24/h2-9H,10-13H2,1H3
InChIKeySZNJERQQXRAOJL-UHFFFAOYSA-N
XLogP2.30
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate 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 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate (CID 2404400) is 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate is COc1ccccc1OCCC(=O)OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate?
The InChIKey is SZNJERQQXRAOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-25-16-8-4-5-9-17(16)26-12-10-18(22)27-13-11-21-19(23)14-6-2-3-7-15(14)20(21)24/h2-9H,10-13H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate?
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate has a molecular weight of 369.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate is sourced from PubChem (CID 2404400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).