3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid

C19H24N2O3 — CID 126476902

IUPAC3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)c(CC(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-2-21-16-11-7-6-10-14(16)15(18(21)19(23)24)12-17(22)20-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,22)(H,23,24)
InChIKeyTXEWAQZFFWFKLX-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.35
Rot. Bonds5

About 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid

3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid (PubChem CID 126476902) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
PubChem CID126476902
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)c(CC(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-2-21-16-11-7-6-10-14(16)15(18(21)19(23)24)12-17(22)20-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,22)(H,23,24)
InChIKeyTXEWAQZFFWFKLX-UHFFFAOYSA-N
XLogP3.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 15999504
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781489
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 6615586
3-[2-[3-[benzyl(ethyl)amino]propylamino]-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 6615633
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
3-[(cyclooctylamino)methyl]-1-ethyl-6-methoxyindole-2-carboxylic acid
CID 53208669
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
3-[(cyclopropylamino)methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid
CID 53207148
3-[2-(N,2-dimethylanilino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 22330767

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid?
The IUPAC name of 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid (CID 126476902) is 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid.
What is the SMILES notation for 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid?
The canonical SMILES for 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid is CCn1c(C(=O)O)c(CC(=O)NC2CCCCC2)c2ccccc21.
What is the InChIKey of 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid?
The InChIKey is TXEWAQZFFWFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-21-16-11-7-6-10-14(16)15(18(21)19(23)24)12-17(22)20-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid?
3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid is sourced from PubChem (CID 126476902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).