[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

C22H22N2O6 — CID 8647151

IUPAC[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C22H22N2O6/c1-22(2,3)30-21(28)23-16-7-4-13(5-8-16)20(27)29-12-18(25)14-6-9-17-15(10-14)11-19(26)24-17/h4-10H,11-12H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyIWJBORSIYCMSTD-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.57
Rot. Bonds5

About [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate (PubChem CID 8647151) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
PubChem CID8647151
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C22H22N2O6/c1-22(2,3)30-21(28)23-16-7-4-13(5-8-16)20(27)29-12-18(25)14-6-9-17-15(10-14)11-19(26)24-17/h4-10H,11-12H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyIWJBORSIYCMSTD-UHFFFAOYSA-N
XLogP3.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate with MolForge

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520958
tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate
CID 71213219
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate
CID 9487869
(2-oxo-2-thiophen-2-ylethyl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646710
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
CID 8753386
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520872

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate (CID 8647151) is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is CC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The InChIKey is IWJBORSIYCMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-22(2,3)30-21(28)23-16-7-4-13(5-8-16)20(27)29-12-18(25)14-6-9-17-15(10-14)11-19(26)24-17/h4-10H,11-12H2,1-3H3,(H,23,28)(H,24,26).
What are the key properties of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate has a molecular weight of 410.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is sourced from PubChem (CID 8647151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).