[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

C23H22N2O5 — CID 55442687

IUPAC[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESCC(OC(=O)COc1ccc(N2CCCC2=O)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H22N2O5/c1-15(23(28)19-13-24-20-6-3-2-5-18(19)20)30-22(27)14-29-17-10-8-16(9-11-17)25-12-4-7-21(25)26/h2-3,5-6,8-11,13,15,24H,4,7,12,14H2,1H3
InChIKeyUEYATUQKEHAPMI-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.49
Rot. Bonds7

About [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (PubChem CID 55442687) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
PubChem CID55442687
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESCC(OC(=O)COc1ccc(N2CCCC2=O)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H22N2O5/c1-15(23(28)19-13-24-20-6-3-2-5-18(19)20)30-22(27)14-29-17-10-8-16(9-11-17)25-12-4-7-21(25)26/h2-3,5-6,8-11,13,15,24H,4,7,12,14H2,1H3
InChIKeyUEYATUQKEHAPMI-UHFFFAOYSA-N
XLogP3.49
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate with MolForge

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Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133683
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 42984043
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(3-fluorophenoxy)acetate
CID 8914367
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426862
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814284
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 41188721
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570362
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442450
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11928077
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7555308

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (CID 55442687) is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.
What is the SMILES notation for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The canonical SMILES for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is CC(OC(=O)COc1ccc(N2CCCC2=O)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The InChIKey is UEYATUQKEHAPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-15(23(28)19-13-24-20-6-3-2-5-18(19)20)30-22(27)14-29-17-10-8-16(9-11-17)25-12-4-7-21(25)26/h2-3,5-6,8-11,13,15,24H,4,7,12,14H2,1H3.
What are the key properties of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate has a molecular weight of 406.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is sourced from PubChem (CID 55442687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).