[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C23H22N2O4 — CID 55426862

IUPAC[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H22N2O4/c1-15(22(27)19-13-24-20-9-3-2-8-18(19)20)29-23(28)17-7-4-6-16(12-17)14-25-11-5-10-21(25)26/h2-4,6-9,12-13,15,24H,5,10-11,14H2,1H3
InChIKeyGFDPORQJSICRSA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.72
Rot. Bonds6

About [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 55426862) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID55426862
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H22N2O4/c1-15(22(27)19-13-24-20-9-3-2-8-18(19)20)29-23(28)17-7-4-6-16(12-17)14-25-11-5-10-21(25)26/h2-4,6-9,12-13,15,24H,5,10-11,14H2,1H3
InChIKeyGFDPORQJSICRSA-UHFFFAOYSA-N
XLogP3.72
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate with MolForge

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Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7789907
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133683
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426814
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426786
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 42898559
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442687
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17462097
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387014
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 43001103

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 55426862) is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate is CC(OC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is GFDPORQJSICRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(22(27)19-13-24-20-9-3-2-8-18(19)20)29-23(28)17-7-4-6-16(12-17)14-25-11-5-10-21(25)26/h2-4,6-9,12-13,15,24H,5,10-11,14H2,1H3.
What are the key properties of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 390.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 55426862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).