6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate

C125H160F4N10O5 — CID 158413089

IUPAC6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCOC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCOc1ccccc1-c1cc2cc[nH]c2cc1C(C)(C)C.CCc1cc2cc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C20H23NO.C18H24N2O.C17H24N2O.C16H23N.C15H19NO2.C14H19N.C13H14F3N.C12H14FN/c1-5-22-19-9-7-6-8-15(19)16-12-14-10-11-21-18(14)13-17(16)20(2,3)4;1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-18-14(17)11-8-10-6-7-16-13(10)9-12(11)15(2,3)4;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h6-13,21H,5H2,1-4H3;7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);7-10,17H,1-6H3;6-9,16H,5H2,1-4H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;4-7,14H,1-3H3
InChIKeyGZNXYYHXDWDENC-UHFFFAOYSA-N
MW1958.71 g/mol
LogP34.00
Rot. Bonds10

About 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate

6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate (PubChem CID 158413089) has the molecular formula C125H160F4N10O5 and a molecular weight of 1958.71 g/mol. Its IUPAC name is 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
PubChem CID158413089
Molecular FormulaC125H160F4N10O5
Molecular Weight1958.71 g/mol
Exact Mass1957.25
IUPAC Name6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCOC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCOc1ccccc1-c1cc2cc[nH]c2cc1C(C)(C)C.CCc1cc2cc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C20H23NO.C18H24N2O.C17H24N2O.C16H23N.C15H19NO2.C14H19N.C13H14F3N.C12H14FN/c1-5-22-19-9-7-6-8-15(19)16-12-14-10-11-21-18(14)13-17(16)20(2,3)4;1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-18-14(17)11-8-10-6-7-16-13(10)9-12(11)15(2,3)4;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h6-13,21H,5H2,1-4H3;7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);7-10,17H,1-6H3;6-9,16H,5H2,1-4H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;4-7,14H,1-3H3
InChIKeyGZNXYYHXDWDENC-UHFFFAOYSA-N
XLogP34.00
TPSA211.26 Ų
H-Bond Donors9
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.71
LogP ≤ 534.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate with MolForge

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Related Compounds

(2,3,5,6-tetrafluorophenyl) 6-[6-[6-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22314711
(2,3,5,6-tetrafluorophenyl) 6-[6-[6-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22890117
methyl 6-[6-[6-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;(2,3,5,6-tetrafluorophenyl) 6-[6-[6-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;1,1,1-trifluoropropan-2-one
CID 90811192
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 157080571
CID 157612956
CID 157612956
2-[2,4-bis[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-pyridin-3-ylindol-3-yl]acetic acid;methane;methyl 2-[4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-1,2-dimethylindol-3-yl]acetate;methyl 2-[4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-2-methyl-1H-indol-3-yl]acetate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-3-phenylpropanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-3-pyridin-3-ylpropanoate
CID 157687755
CID 157873949
CID 157873949
2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole
CID 158002314
heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158108496
6-tert-butyl-5-ethyl-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158131649
4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 158159842
1-(difluoromethoxy)-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylbenzamide;ethane;methyl 2-propan-2-ylbenzoate;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158578275

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate?
The IUPAC name of 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate (CID 158413089) is 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate.
What is the SMILES notation for 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate?
The canonical SMILES for 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate is CC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCOC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCOc1ccccc1-c1cc2cc[nH]c2cc1C(C)(C)C.CCc1cc2cc[nH]c2cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate?
The InChIKey is GZNXYYHXDWDENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.C18H24N2O.C17H24N2O.C16H23N.C15H19NO2.C14H19N.C13H14F3N.C12H14FN/c1-5-22-19-9-7-6-8-15(19)16-12-14-10-11-21-18(14)13-17(16)20(2,3)4;1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-18-14(17)11-8-10-6-7-16-13(10)9-12(11)15(2,3)4;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h6-13,21H,5H2,1-4H3;7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);7-10,17H,1-6H3;6-9,16H,5H2,1-4H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;4-7,14H,1-3H3.
What are the key properties of 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate?
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate has a molecular weight of 1958.71 g/mol, XLogP of 34.00, 10 rotatable bonds, 9 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate is sourced from PubChem (CID 158413089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).