[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

C22H22N2O3 — CID 2423316

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C22H22N2O3/c25-21(24-13-12-16-6-1-4-10-20(16)24)15-27-22(26)11-5-7-17-14-23-19-9-3-2-8-18(17)19/h1-4,6,8-10,14,23H,5,7,11-13,15H2
InChIKeyRXCQZKWPWNSPGH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.62
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 2423316) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID2423316
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C22H22N2O3/c25-21(24-13-12-16-6-1-4-10-20(16)24)15-27-22(26)11-5-7-17-14-23-19-9-3-2-8-18(17)19/h1-4,6,8-10,14,23H,5,7,11-13,15H2
InChIKeyRXCQZKWPWNSPGH-UHFFFAOYSA-N
XLogP3.62
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659250
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888835
(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate
CID 174814617
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 46696044
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7664769
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 46789772
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2401723
4-(1H-indol-3-yl)butanamide
CID 588715
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (CID 2423316) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is O=C(CCCc1c[nH]c2ccccc12)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is RXCQZKWPWNSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21(24-13-12-16-6-1-4-10-20(16)24)15-27-22(26)11-5-7-17-14-23-19-9-3-2-8-18(17)19/h1-4,6,8-10,14,23H,5,7,11-13,15H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 362.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 2423316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).