(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone

C23H26N2O — CID 11695927

IUPAC(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(C2CCN(C(=O)c3cccc(C)c3C)C2)c2ccccc21
InChIInChI=1S/C23H26N2O/c1-4-24-15-21(20-9-5-6-11-22(20)24)18-12-13-25(14-18)23(26)19-10-7-8-16(2)17(19)3/h5-11,15,18H,4,12-14H2,1-3H3
InChIKeyAKKFOKPAQZRPSX-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.91
Rot. Bonds3

About (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone

(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 11695927) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID11695927
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(C2CCN(C(=O)c3cccc(C)c3C)C2)c2ccccc21
InChIInChI=1S/C23H26N2O/c1-4-24-15-21(20-9-5-6-11-22(20)24)18-12-13-25(14-18)23(26)19-10-7-8-16(2)17(19)3/h5-11,15,18H,4,12-14H2,1-3H3
InChIKeyAKKFOKPAQZRPSX-UHFFFAOYSA-N
XLogP4.91
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone 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-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide
CID 11574724
3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid
CID 91165226
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 110104217
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
(1-ethylindol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51255839
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
(4aS,8aS)-6-(2,3-dimethylbenzoyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 122131044
1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone (CID 11695927) is (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone is CCn1cc(C2CCN(C(=O)c3cccc(C)c3C)C2)c2ccccc21.
What is the InChIKey of (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AKKFOKPAQZRPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-4-24-15-21(20-9-5-6-11-22(20)24)18-12-13-25(14-18)23(26)19-10-7-8-16(2)17(19)3/h5-11,15,18H,4,12-14H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone?
(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11695927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).