[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate

C18H22N2O4 — CID 42890150

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)NCC2CCCO2)c2ccccc21
InChIInChI=1S/C18H22N2O4/c1-2-20-11-15(14-7-3-4-8-16(14)20)18(22)24-12-17(21)19-10-13-6-5-9-23-13/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,21)
InChIKeyREUWPJSEOXRWMX-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.11
Rot. Bonds6

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate (PubChem CID 42890150) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
PubChem CID42890150
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)NCC2CCCO2)c2ccccc21
InChIInChI=1S/C18H22N2O4/c1-2-20-11-15(14-7-3-4-8-16(14)20)18(22)24-12-17(21)19-10-13-6-5-9-23-13/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,21)
InChIKeyREUWPJSEOXRWMX-UHFFFAOYSA-N
XLogP2.11
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] naphthalene-1-carboxylate
CID 2436180
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553374
N-(oxolan-2-ylmethyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 4212528
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-benzoylbenzoate
CID 2621831
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 2593655
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2080081
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-ethoxynaphthalene-2-carboxylate
CID 42920972
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-ethylbenzoate
CID 2607157
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
CID 2389461
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate (CID 42890150) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate is CCn1cc(C(=O)OCC(=O)NCC2CCCO2)c2ccccc21.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate?
The InChIKey is REUWPJSEOXRWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-20-11-15(14-7-3-4-8-16(14)20)18(22)24-12-17(21)19-10-13-6-5-9-23-13/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,21).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate is sourced from PubChem (CID 42890150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).