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

C23H26N2O4 — CID 11257918

IUPAC3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid
SMILESCN(C)C(=O)Cn1c(-c2ccco2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C23H26N2O4/c1-24(2)20(26)14-25-18-13-16(23(27)28)10-11-17(18)21(15-7-4-3-5-8-15)22(25)19-9-6-12-29-19/h6,9-13,15H,3-5,7-8,14H2,1-2H3,(H,27,28)
InChIKeyQCGJGMRYULFEMW-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.74
Rot. Bonds5

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

3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid (PubChem CID 11257918) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid
PubChem CID11257918
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid
SMILESCN(C)C(=O)Cn1c(-c2ccco2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C23H26N2O4/c1-24(2)20(26)14-25-18-13-16(23(27)28)10-11-17(18)21(15-7-4-3-5-8-15)22(25)19-9-6-12-29-19/h6,9-13,15H,3-5,7-8,14H2,1-2H3,(H,27,28)
InChIKeyQCGJGMRYULFEMW-UHFFFAOYSA-N
XLogP4.74
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid (CID 11257918) is 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid is CN(C)C(=O)Cn1c(-c2ccco2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid?
The InChIKey is QCGJGMRYULFEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-24(2)20(26)14-25-18-13-16(23(27)28)10-11-17(18)21(15-7-4-3-5-8-15)22(25)19-9-6-12-29-19/h6,9-13,15H,3-5,7-8,14H2,1-2H3,(H,27,28).
What are the key properties of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid?
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(furan-2-yl)indole-6-carboxylic acid is sourced from PubChem (CID 11257918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).