[2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate

C17H20N2O3 — CID 7492825

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C17H20N2O3/c20-16(19-12-6-2-1-3-7-12)11-22-17(21)14-10-18-15-9-5-4-8-13(14)15/h4-5,8-10,12,18H,1-3,6-7,11H2,(H,19,20)
InChIKeyOLLLTKBZJQVCOF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.77
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492825) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492825
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C17H20N2O3/c20-16(19-12-6-2-1-3-7-12)11-22-17(21)14-10-18-15-9-5-4-8-13(14)15/h4-5,8-10,12,18H,1-3,6-7,11H2,(H,19,20)
InChIKeyOLLLTKBZJQVCOF-UHFFFAOYSA-N
XLogP2.77
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492825) is [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate is O=C(COC(=O)c1c[nH]c2ccccc12)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is OLLLTKBZJQVCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-16(19-12-6-2-1-3-7-12)11-22-17(21)14-10-18-15-9-5-4-8-13(14)15/h4-5,8-10,12,18H,1-3,6-7,11H2,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).