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

C26H33N3O4 — CID 46232371

IUPAC3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid
SMILESCN(C)CCN(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C26H33N3O4/c1-27(2)12-13-28(3)23(30)16-29-22-15-19(26(31)32)9-10-21(22)24(18-7-5-4-6-8-18)25(29)20-11-14-33-17-20/h9-11,14-15,17-18H,4-8,12-13,16H2,1-3H3,(H,31,32)
InChIKeyIUPGQWJOXYOCRR-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.67
Rot. Bonds8

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

3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid (PubChem CID 46232371) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid
PubChem CID46232371
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid
SMILESCN(C)CCN(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C26H33N3O4/c1-27(2)12-13-28(3)23(30)16-29-22-15-19(26(31)32)9-10-21(22)24(18-7-5-4-6-8-18)25(29)20-11-14-33-17-20/h9-11,14-15,17-18H,4-8,12-13,16H2,1-3H3,(H,31,32)
InChIKeyIUPGQWJOXYOCRR-UHFFFAOYSA-N
XLogP4.67
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)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-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid (CID 46232371) is 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid is CN(C)CCN(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid?
The InChIKey is IUPGQWJOXYOCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-27(2)12-13-28(3)23(30)16-29-22-15-19(26(31)32)9-10-21(22)24(18-7-5-4-6-8-18)25(29)20-11-14-33-17-20/h9-11,14-15,17-18H,4-8,12-13,16H2,1-3H3,(H,31,32).
What are the key properties of 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid?
3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid has a molecular weight of 451.57 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]-2-(furan-3-yl)indole-6-carboxylic acid is sourced from PubChem (CID 46232371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).