(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate

C20H19NO5 — CID 7524606

IUPAC(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19NO5/c1-2-25-17-10-6-3-7-14(17)11-12-18(22)26-13-21-19(23)15-8-4-5-9-16(15)20(21)24/h3-10H,2,11-13H2,1H3
InChIKeyRUGJWPLIGKVTBG-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.81
Rot. Bonds7

About (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate

(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate (PubChem CID 7524606) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
PubChem CID7524606
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19NO5/c1-2-25-17-10-6-3-7-14(17)11-12-18(22)26-13-21-19(23)15-8-4-5-9-16(15)20(21)24/h3-10H,2,11-13H2,1H3
InChIKeyRUGJWPLIGKVTBG-UHFFFAOYSA-N
XLogP2.81
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
4-O-[(1,3-dioxoisoindol-2-yl)methyl] 1-O-[2-(2-methylpropanoyloxy)ethyl] butanedioate
CID 138566980
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 5207428
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
(1,3-dioxoisoindol-2-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2570645
(1,3-dioxoisoindol-2-yl)methyl 2-methylpropanoate
CID 164850701
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(4-ethoxyphenyl)propanoate
CID 19226189

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate (CID 7524606) is (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate?
The InChIKey is RUGJWPLIGKVTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-25-17-10-6-3-7-14(17)11-12-18(22)26-13-21-19(23)15-8-4-5-9-16(15)20(21)24/h3-10H,2,11-13H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate?
(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate has a molecular weight of 353.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 7524606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).