2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate

C20H19NO5 — CID 7211840

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H19NO5/c1-2-12-25-15-9-7-14(8-10-15)20(24)26-13-11-21-18(22)16-5-3-4-6-17(16)19(21)23/h3-10H,2,11-13H2,1H3
InChIKeyDZSMGLXMDOUOBY-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.93
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate

2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate (PubChem CID 7211840) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
PubChem CID7211840
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H19NO5/c1-2-12-25-15-9-7-14(8-10-15)20(24)26-13-11-21-18(22)16-5-3-4-6-17(16)19(21)23/h3-10H,2,11-13H2,1H3
InChIKeyDZSMGLXMDOUOBY-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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-(1,3-dioxoisoindol-2-yl)ethyl 4-(2-methylpropoxy)benzoate
CID 2680543
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(difluoromethoxy)benzoate
CID 2629528
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-propanoylphenoxy)acetate
CID 9326697
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 2598527
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-ethoxyphenoxy)acetate
CID 7606197
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275061
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
CID 17368121
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(ethylsulfamoyl)benzoate
CID 8568285
2-[2-(4-hexoxyphenoxy)ethyl]isoindole-1,3-dione
CID 90319157
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenoxyethoxy)benzoate
CID 4537323
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(4-ethoxyphenyl)propanoate
CID 19226189

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate (CID 7211840) is 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate is CCCOc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate?
The InChIKey is DZSMGLXMDOUOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-12-25-15-9-7-14(8-10-15)20(24)26-13-11-21-18(22)16-5-3-4-6-17(16)19(21)23/h3-10H,2,11-13H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate?
2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate has a molecular weight of 353.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate is sourced from PubChem (CID 7211840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).