tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate

C19H27FN2O2 — CID 121258495

IUPACtert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1c(C(C)(C)C)cc2ccc(F)cc21
InChIInChI=1S/C19H27FN2O2/c1-18(2,3)16-11-13-7-8-14(20)12-15(13)22(16)10-9-21-17(23)24-19(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,21,23)
InChIKeyXBODWEIUMLCTAK-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.60
Rot. Bonds3

About tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate

tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate (PubChem CID 121258495) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate
PubChem CID121258495
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Nametert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1c(C(C)(C)C)cc2ccc(F)cc21
InChIInChI=1S/C19H27FN2O2/c1-18(2,3)16-11-13-7-8-14(20)12-15(13)22(16)10-9-21-17(23)24-19(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,21,23)
InChIKeyXBODWEIUMLCTAK-UHFFFAOYSA-N
XLogP4.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-{4-[2-(methylcarbamoyl)ethyl]phenyl}-1H-indole-1-carboxylate
CID 25190811
N-[2-(2-phenylindol-1-yl)ethyl]propanamide
CID 10493872
Cyclohexanecarboxylic acid (1-methyl-1H-indol-2-ylmethyl)-amide
CID 6498693
Cyclohexanecarboxylic acid (1-ethyl-1H-indol-2-ylmethyl)-amide
CID 6498721
N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10611106
(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide
CID 71499413
(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
CID 71499414
N-[2-(1-Benzyl-2-methyl-1H-indol-3-yl)-ethyl]-acetamide
CID 672975
1H-Indole-1-acetamide, N-cyclohexyl-2-methyl-
CID 3074829
1-(Tert-butoxycarbonyl)indole
CID 3532980
tert-butyl 2-[4-(aminomethyl)phenyl]-1H-indole-1-carboxylate
CID 25190803
tert-butyl 2-(4-{2-[(2-methylpropyl)carbamoyl]ethyl}phenyl)-1H-indole-1-carboxylate
CID 25190812

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate (CID 121258495) is tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1c(C(C)(C)C)cc2ccc(F)cc21.
What is the InChIKey of tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate?
The InChIKey is XBODWEIUMLCTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-18(2,3)16-11-13-7-8-14(20)12-15(13)22(16)10-9-21-17(23)24-19(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,21,23).
What are the key properties of tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate has a molecular weight of 334.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-tert-butyl-6-fluoroindol-1-yl)ethyl]carbamate is sourced from PubChem (CID 121258495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).