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

C25H30N2O5 — CID 46233069

IUPAC3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid
SMILESCOCCN(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C25H30N2O5/c1-26(11-13-31-2)22(28)15-27-21-14-18(25(29)30)8-9-20(21)23(17-6-4-3-5-7-17)24(27)19-10-12-32-16-19/h8-10,12,14,16-17H,3-7,11,13,15H2,1-2H3,(H,29,30)
InChIKeyNRIREWJKOFRNKX-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.75
Rot. Bonds8

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

3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid (PubChem CID 46233069) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid
PubChem CID46233069
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid
SMILESCOCCN(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C25H30N2O5/c1-26(11-13-31-2)22(28)15-27-21-14-18(25(29)30)8-9-20(21)23(17-6-4-3-5-7-17)24(27)19-10-12-32-16-19/h8-10,12,14,16-17H,3-7,11,13,15H2,1-2H3,(H,29,30)
InChIKeyNRIREWJKOFRNKX-UHFFFAOYSA-N
XLogP4.75
TPSA84.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid (CID 46233069) is 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid is COCCN(C)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-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid?
The InChIKey is NRIREWJKOFRNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-26(11-13-31-2)22(28)15-27-21-14-18(25(29)30)8-9-20(21)23(17-6-4-3-5-7-17)24(27)19-10-12-32-16-19/h8-10,12,14,16-17H,3-7,11,13,15H2,1-2H3,(H,29,30).
What are the key properties of 3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid?
3-cyclohexyl-2-(furan-3-yl)-1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid has a molecular weight of 438.52 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 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-methoxyethyl(methyl)amino]-2-oxoethyl]indole-6-carboxylic acid is sourced from PubChem (CID 46233069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).