6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole

C87H117F3N8O3 — CID 158490864

IUPAC6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CNCC(=O)N(C)CC(=O)n1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C18H25N3O2.C16H21NO.C14H19N.C14H21N.C13H14F3N.C12H17N/c1-18(2,3)14-7-6-13-8-9-21(15(13)10-14)17(23)12-20(5)16(22)11-19-4;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-12(2,3)8-4-5-9-10(13(14,15)16)7-17-11(9)6-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h6-10,19H,11-12H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;4-7,17H,1-3H3;4-5,8,13H,6-7H2,1-3H3
InChIKeyHIRGVXHPAYWBGZ-UHFFFAOYSA-N
MW1379.94 g/mol
LogP20.20
Rot. Bonds4

About 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole

6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole (PubChem CID 158490864) has the molecular formula C87H117F3N8O3 and a molecular weight of 1379.94 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole
PubChem CID158490864
Molecular FormulaC87H117F3N8O3
Molecular Weight1379.94 g/mol
Exact Mass1378.92
IUPAC Name6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CNCC(=O)N(C)CC(=O)n1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C18H25N3O2.C16H21NO.C14H19N.C14H21N.C13H14F3N.C12H17N/c1-18(2,3)14-7-6-13-8-9-21(15(13)10-14)17(23)12-20(5)16(22)11-19-4;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-12(2,3)8-4-5-9-10(13(14,15)16)7-17-11(9)6-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h6-10,19H,11-12H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;4-7,17H,1-3H3;4-5,8,13H,6-7H2,1-3H3
InChIKeyHIRGVXHPAYWBGZ-UHFFFAOYSA-N
XLogP20.20
TPSA126.53 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001379.94
LogP ≤ 520.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole with MolForge

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Related Compounds

Tryptophyl-arginyl-tryptophyl-tryptophyl-tryptophyl-tryptophanamide
CID 49768327
cyclo[N(PrPh)Gly-Trp-D-Phe-Trp-Phe-D-Pro]
CID 137654154
Ilpwkwpwwpwpp-NH2
CID 16197752
Lpwkwpwwpwpp-NH2
CID 16197753
Ilpwkwpwwpwp-NH2
CID 16197754
Ilawkwawwawpp-NH2
CID 16197757
(Ilpwkwpwwpwpp)2K-NH2
CID 44395610
H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-DL-Lys(1)-NH2.H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-(1)
CID 44395611
Ac-Trp-Lys-Trp-Trp-Pro-Gly-Ile-Phe-NH2
CID 44571075
H-Lys-Trp-Trp-Lys-Lys-Trp-Lys-Lys-Trp-Trp-NH2
CID 164622047
Ilpwgwpwwpwpp-NH2
CID 16197755
cyclo[Ala-Pro-Trp-Val-Trp-Leu-Pro-Trp]
CID 10629892

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole (CID 158490864) is 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole is CC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CNCC(=O)N(C)CC(=O)n1ccc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole?
The InChIKey is HIRGVXHPAYWBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.C16H21NO.C14H19N.C14H21N.C13H14F3N.C12H17N/c1-18(2,3)14-7-6-13-8-9-21(15(13)10-14)17(23)12-20(5)16(22)11-19-4;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-12(2,3)8-4-5-9-10(13(14,15)16)7-17-11(9)6-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h6-10,19H,11-12H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;4-7,17H,1-3H3;4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole?
6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole has a molecular weight of 1379.94 g/mol, XLogP of 20.20, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 158490864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).