[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate

C19H24N2O3 — CID 7888882

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C19H24N2O3/c1-2-21(14-8-4-3-5-9-14)18(22)13-24-19(23)16-12-20-17-11-7-6-10-15(16)17/h6-7,10-12,14,20H,2-5,8-9,13H2,1H3
InChIKeyJORANTFJMONLRL-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.51
Rot. Bonds5

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7888882) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7888882
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C19H24N2O3/c1-2-21(14-8-4-3-5-9-14)18(22)13-24-19(23)16-12-20-17-11-7-6-10-15(16)17/h6-7,10-12,14,20H,2-5,8-9,13H2,1H3
InChIKeyJORANTFJMONLRL-UHFFFAOYSA-N
XLogP3.51
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 143885849
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606559
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55315017
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-3-carboxamide
CID 60958792
N-ethyl-2-(1H-indol-3-yl)-N-pyrrolidin-3-ylacetamide
CID 63299295
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7190191
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888926
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307564
(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate
CID 54523063
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251540

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate (CID 7888882) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate is CCN(C(=O)COC(=O)c1c[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is JORANTFJMONLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-21(14-8-4-3-5-9-14)18(22)13-24-19(23)16-12-20-17-11-7-6-10-15(16)17/h6-7,10-12,14,20H,2-5,8-9,13H2,1H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7888882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).