tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate

C21H24N2O4 — CID 102439230

IUPACtert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate
SMILESCC(=O)n1cc(CCN(C(=O)OC(C)(C)C)c2ccco2)c2ccccc21
InChIInChI=1S/C21H24N2O4/c1-15(24)23-14-16(17-8-5-6-9-18(17)23)11-12-22(19-10-7-13-26-19)20(25)27-21(2,3)4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyYHPOCFKMYSJNLZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.88
Rot. Bonds4

About tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate

tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate (PubChem CID 102439230) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate
PubChem CID102439230
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nametert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate
SMILESCC(=O)n1cc(CCN(C(=O)OC(C)(C)C)c2ccco2)c2ccccc21
InChIInChI=1S/C21H24N2O4/c1-15(24)23-14-16(17-8-5-6-9-18(17)23)11-12-22(19-10-7-13-26-19)20(25)27-21(2,3)4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyYHPOCFKMYSJNLZ-UHFFFAOYSA-N
XLogP4.88
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide
CID 11224721
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
tert-butyl 3-(3-hydroxybutyl)indole-1-carboxylate
CID 135013234
tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate
CID 155937072
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl]indole-1-carboxylate
CID 171397275
3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylic acid
CID 135376730
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-(4-oxobutyl)indole-1-carboxylate
CID 172551966
3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid
CID 56619053
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
tert-butyl 3-[2-[[(1S)-1-phenylethyl]-[(2R,3S)-3-phenyloxirane-2-carbonyl]amino]ethyl]indole-1-carboxylate
CID 102205707

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate?
The IUPAC name of tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate (CID 102439230) is tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate is CC(=O)n1cc(CCN(C(=O)OC(C)(C)C)c2ccco2)c2ccccc21.
What is the InChIKey of tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate?
The InChIKey is YHPOCFKMYSJNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(24)23-14-16(17-8-5-6-9-18(17)23)11-12-22(19-10-7-13-26-19)20(25)27-21(2,3)4/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate?
tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate has a molecular weight of 368.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate is sourced from PubChem (CID 102439230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).