[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C23H22N2O3 — CID 2128394

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCCc1cccc2c(C(=O)COC(=O)CCc3c[nH]c4ccccc34)c[nH]c12
InChIInChI=1S/C23H22N2O3/c1-2-15-6-5-8-18-19(13-25-23(15)18)21(26)14-28-22(27)11-10-16-12-24-20-9-4-3-7-17(16)20/h3-9,12-13,24-25H,2,10-11,14H2,1H3
InChIKeyNGCOISGELLYAFL-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.57
Rot. Bonds7

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2128394) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2128394
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCCc1cccc2c(C(=O)COC(=O)CCc3c[nH]c4ccccc34)c[nH]c12
InChIInChI=1S/C23H22N2O3/c1-2-15-6-5-8-18-19(13-25-23(15)18)21(26)14-28-22(27)11-10-16-12-24-20-9-4-3-7-17(16)20/h3-9,12-13,24-25H,2,10-11,14H2,1H3
InChIKeyNGCOISGELLYAFL-UHFFFAOYSA-N
XLogP4.57
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659172
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871052
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2556581
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 7185937
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 46826896
[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2362813
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7649508
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767738
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7629003
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 18286411

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2128394) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is CCc1cccc2c(C(=O)COC(=O)CCc3c[nH]c4ccccc34)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is NGCOISGELLYAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-15-6-5-8-18-19(13-25-23(15)18)21(26)14-28-22(27)11-10-16-12-24-20-9-4-3-7-17(16)20/h3-9,12-13,24-25H,2,10-11,14H2,1H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 374.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2128394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).