[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

C19H21N3O6 — CID 46789888

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCC(=O)N1CCNC1=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H21N3O6/c1-11(2)9-14(18(26)28-10-15(23)21-8-7-20-19(21)27)22-16(24)12-5-3-4-6-13(12)17(22)25/h3-6,11,14H,7-10H2,1-2H3,(H,20,27)
InChIKeyWJDSHFZLBYFBGP-UHFFFAOYSA-N
MW387.39 g/mol
LogP0.79
Rot. Bonds6

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate (PubChem CID 46789888) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
PubChem CID46789888
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCC(=O)N1CCNC1=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H21N3O6/c1-11(2)9-14(18(26)28-10-15(23)21-8-7-20-19(21)27)22-16(24)12-5-3-4-6-13(12)17(22)25/h3-6,11,14H,7-10H2,1-2H3,(H,20,27)
InChIKeyWJDSHFZLBYFBGP-UHFFFAOYSA-N
XLogP0.79
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926353
(2-amino-2-oxoethyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 7951869
phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 7784391
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408442
ethyl 1-[2-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]oxyacetyl]piperidine-4-carboxylate
CID 46789881
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4636938
[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 3751012
[2-(ethylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4535034
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408413
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408620
[2-oxo-2-(propylamino)ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408473
[2-oxo-2-(propylamino)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 5124278

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate (CID 46789888) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate is CC(C)CC(C(=O)OCC(=O)N1CCNC1=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The InChIKey is WJDSHFZLBYFBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-11(2)9-14(18(26)28-10-15(23)21-8-7-20-19(21)27)22-16(24)12-5-3-4-6-13(12)17(22)25/h3-6,11,14H,7-10H2,1-2H3,(H,20,27).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate has a molecular weight of 387.39 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate is sourced from PubChem (CID 46789888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).