3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid

C24H28N2O5 — CID 11743088

IUPAC3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid
SMILESCN(CCO)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C24H28N2O5/c1-25(10-11-27)21(28)14-26-20-13-17(24(29)30)7-8-19(20)22(16-5-3-2-4-6-16)23(26)18-9-12-31-15-18/h7-9,12-13,15-16,27H,2-6,10-11,14H2,1H3,(H,29,30)
InChIKeyWTSCOSZAJIHLND-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.10
Rot. Bonds7

About 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid

3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid (PubChem CID 11743088) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid
PubChem CID11743088
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid
SMILESCN(CCO)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C24H28N2O5/c1-25(10-11-27)21(28)14-26-20-13-17(24(29)30)7-8-19(20)22(16-5-3-2-4-6-16)23(26)18-9-12-31-15-18/h7-9,12-13,15-16,27H,2-6,10-11,14H2,1H3,(H,29,30)
InChIKeyWTSCOSZAJIHLND-UHFFFAOYSA-N
XLogP4.10
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid (CID 11743088) is 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid is CN(CCO)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid?
The InChIKey is WTSCOSZAJIHLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-25(10-11-27)21(28)14-26-20-13-17(24(29)30)7-8-19(20)22(16-5-3-2-4-6-16)23(26)18-9-12-31-15-18/h7-9,12-13,15-16,27H,2-6,10-11,14H2,1H3,(H,29,30).
What are the key properties of 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid?
3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid has a molecular weight of 424.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid is sourced from PubChem (CID 11743088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).