[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate

C21H28N2O3 — CID 55378755

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate
SMILESCCN(C(=O)COC(=O)CCn1ccc2ccccc21)C1CCCCC1
InChIInChI=1S/C21H28N2O3/c1-2-23(18-9-4-3-5-10-18)20(24)16-26-21(25)13-15-22-14-12-17-8-6-7-11-19(17)22/h6-8,11-12,14,18H,2-5,9-10,13,15-16H2,1H3
InChIKeyKARQLSAUSNBDCJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.76
Rot. Bonds7

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate (PubChem CID 55378755) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate
PubChem CID55378755
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate
SMILESCCN(C(=O)COC(=O)CCn1ccc2ccccc21)C1CCCCC1
InChIInChI=1S/C21H28N2O3/c1-2-23(18-9-4-3-5-10-18)20(24)16-26-21(25)13-15-22-14-12-17-8-6-7-11-19(17)22/h6-8,11-12,14,18H,2-5,9-10,13,15-16H2,1H3
InChIKeyKARQLSAUSNBDCJ-UHFFFAOYSA-N
XLogP3.76
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate (CID 55378755) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate is CCN(C(=O)COC(=O)CCn1ccc2ccccc21)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate?
The InChIKey is KARQLSAUSNBDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-23(18-9-4-3-5-10-18)20(24)16-26-21(25)13-15-22-14-12-17-8-6-7-11-19(17)22/h6-8,11-12,14,18H,2-5,9-10,13,15-16H2,1H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate has a molecular weight of 356.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate is sourced from PubChem (CID 55378755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).