6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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

C102H139N9O5 — CID 158795966

IUPAC6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(=O)N1CCc2ccc(C(C)(C)C)cc21.CC(=O)n1ccc2ccc(C(C)(C)C)cc21.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.C14H19NO.C14H17NO.C14H19N.C14H21N.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;2*1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(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)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;5-6,9H,7-8H2,1-4H3;5-9H,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;4-5,8,13H,6-7H2,1-3H3
InChIKeyISWDTJPXOHTNKS-UHFFFAOYSA-N
MW1571.29 g/mol
LogP22.21
Rot. Bonds4

About 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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 (PubChem CID 158795966) has the molecular formula C102H139N9O5 and a molecular weight of 1571.29 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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
PubChem CID158795966
Molecular FormulaC102H139N9O5
Molecular Weight1571.29 g/mol
Exact Mass1570.09
IUPAC Name6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(=O)N1CCc2ccc(C(C)(C)C)cc21.CC(=O)n1ccc2ccc(C(C)(C)C)cc21.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.C14H19NO.C14H17NO.C14H19N.C14H21N.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;2*1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(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)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;5-6,9H,7-8H2,1-4H3;5-9H,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;4-5,8,13H,6-7H2,1-3H3
InChIKeyISWDTJPXOHTNKS-UHFFFAOYSA-N
XLogP22.21
TPSA153.05 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001571.29
LogP ≤ 522.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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 with MolForge

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Related Compounds

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CID 18628287
Substance P [DArg1, DTrp5,7,9, Leu11]
CID 124081652
Me-D-Phe-D-Trp(Bu)(Bu)-Phe-D-Trp(Bu)(Bu)-Leu-NH2
CID 145953375
substance P (4-11), Pro(4)-Trp-(7,9,10)-Phe(11)-
CID 16131296
Tryptophyl-arginyl-tryptophyl-tryptophyl-tryptophyl-tryptophanamide
CID 49768327
cyclo[N(PrPh)Gly-Trp-D-Phe-Trp-Phe-D-Pro]
CID 137654154
Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Arg-Arg-NH2
CID 76311910
Ilpwkwpwwpwpp-NH2
CID 16197752
Lpwkwpwwpwpp-NH2
CID 16197753
Ilpwkwpwwpwp-NH2
CID 16197754
Ilawkwawwawpp-NH2
CID 16197757
Indolicidin
CID 90478486

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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 (CID 158795966) is 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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 is CC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(=O)N1CCc2ccc(C(C)(C)C)cc21.CC(=O)n1ccc2ccc(C(C)(C)C)cc21.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;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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?
The InChIKey is ISWDTJPXOHTNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.C16H21NO.C14H19NO.C14H17NO.C14H19N.C14H21N.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;2*1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(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)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;5-6,9H,7-8H2,1-4H3;5-9H,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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 has a molecular weight of 1571.29 g/mol, XLogP of 22.21, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;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 is sourced from PubChem (CID 158795966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).