[2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C20H18N2O5 — CID 2380181

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCCN(C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C20H18N2O5/c1-2-21(14-8-4-3-5-9-14)17(23)13-27-18(24)12-22-19(25)15-10-6-7-11-16(15)20(22)26/h3-11H,2,12-13H2,1H3
InChIKeyMHSJGOFVFNHKDJ-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.88
Rot. Bonds6

About [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 2380181) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID2380181
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCCN(C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C20H18N2O5/c1-2-21(14-8-4-3-5-9-14)17(23)13-27-18(24)12-22-19(25)15-10-6-7-11-16(15)20(22)26/h3-11H,2,12-13H2,1H3
InChIKeyMHSJGOFVFNHKDJ-UHFFFAOYSA-N
XLogP1.88
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 2380181) is [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is CCN(C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is MHSJGOFVFNHKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-2-21(14-8-4-3-5-9-14)17(23)13-27-18(24)12-22-19(25)15-10-6-7-11-16(15)20(22)26/h3-11H,2,12-13H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 366.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 2380181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).