ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate

C16H19NO3 — CID 66841782

IUPACethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(OCC3CCC3)cccc2[nH]1
InChIInChI=1S/C16H19NO3/c1-2-19-16(18)14-9-12-13(17-14)7-4-8-15(12)20-10-11-5-3-6-11/h4,7-9,11,17H,2-3,5-6,10H2,1H3
InChIKeyGVGOAHLRGBYPSL-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.52
Rot. Bonds5

About ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate

ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate (PubChem CID 66841782) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
PubChem CID66841782
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(OCC3CCC3)cccc2[nH]1
InChIInChI=1S/C16H19NO3/c1-2-19-16(18)14-9-12-13(17-14)7-4-8-15(12)20-10-11-5-3-6-11/h4,7-9,11,17H,2-3,5-6,10H2,1H3
InChIKeyGVGOAHLRGBYPSL-UHFFFAOYSA-N
XLogP3.52
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate
CID 139270847
ethyl 2-amino-3-(cyclopentylmethoxy)benzoate
CID 115547349
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide
CID 143088228
cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate
CID 7507953
4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 59600191
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
4-(cyclobutylmethoxy)-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(cyclobutylmethoxy)-1H-indole-2-carboxylic acid
CID 158124989
ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate
CID 165179953
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
1,4-dioxane;bis(4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide)
CID 51063119
4-(cyclobutylmethoxy)-N-[1-[(2S)-2-[(3S,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 59600242

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate (CID 66841782) is ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate is CCOC(=O)c1cc2c(OCC3CCC3)cccc2[nH]1.
What is the InChIKey of ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate?
The InChIKey is GVGOAHLRGBYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-19-16(18)14-9-12-13(17-14)7-4-8-15(12)20-10-11-5-3-6-11/h4,7-9,11,17H,2-3,5-6,10H2,1H3.
What are the key properties of ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate?
ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 66841782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).