6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate

C139H173F3N12O7 — CID 158811087

IUPAC6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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)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.CN(C)CCNC(=O)c1ccc(-c2cc3cc[nH]c3cc2C(C)(C)C)cc1.COc1ccccc1-c1cc2cc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C23H29N3O.C20H23NO.C19H21NO.C18H24N2O.C17H24N2O.C15H19NO2.C14H19N.C13H14F3N/c1-23(2,3)20-15-21-18(10-11-24-21)14-19(20)16-6-8-17(9-7-16)22(27)25-12-13-26(4)5;1-5-22-19-9-7-6-8-15(19)16-12-14-10-11-21-18(14)13-17(16)20(2,3)4;1-19(2,3)16-12-17-13(9-10-20-17)11-15(16)14-7-5-6-8-18(14)21-4;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;1-5-18-14(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/h6-11,14-15,24H,12-13H2,1-5H3,(H,25,27);6-13,21H,5H2,1-4H3;5-12,20H,1-4H3;7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);6-9,16H,5H2,1-4H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3
InChIKeyIURREOHIIOXUON-UHFFFAOYSA-N
MW2180.98 g/mol
LogP35.19
Rot. Bonds17

About 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate (PubChem CID 158811087) has the molecular formula C139H173F3N12O7 and a molecular weight of 2180.98 g/mol. Its IUPAC name is 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
PubChem CID158811087
Molecular FormulaC139H173F3N12O7
Molecular Weight2180.98 g/mol
Exact Mass2179.35
IUPAC Name6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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)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.CN(C)CCNC(=O)c1ccc(-c2cc3cc[nH]c3cc2C(C)(C)C)cc1.COc1ccccc1-c1cc2cc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C23H29N3O.C20H23NO.C19H21NO.C18H24N2O.C17H24N2O.C15H19NO2.C14H19N.C13H14F3N/c1-23(2,3)20-15-21-18(10-11-24-21)14-19(20)16-6-8-17(9-7-16)22(27)25-12-13-26(4)5;1-5-22-19-9-7-6-8-15(19)16-12-14-10-11-21-18(14)13-17(16)20(2,3)4;1-19(2,3)16-12-17-13(9-10-20-17)11-15(16)14-7-5-6-8-18(14)21-4;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;1-5-18-14(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/h6-11,14-15,24H,12-13H2,1-5H3,(H,25,27);6-13,21H,5H2,1-4H3;5-12,20H,1-4H3;7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);6-9,16H,5H2,1-4H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3
InChIKeyIURREOHIIOXUON-UHFFFAOYSA-N
XLogP35.19
TPSA252.83 Ų
H-Bond Donors10
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002180.98
LogP ≤ 535.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(S)-3-(2-(1-(2-(5-(benzyloxy)-6-methyl-1H-indol-3-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)pyridin-3-yl)benzamide
CID 71186705
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186707
3-[2-[(1S)-1-[[2-[5-(cyclohexa-1,5-dien-1-ylmethoxy)-6-methyl-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide
CID 71204582
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 90162597
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
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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate (CID 158811087) is 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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)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.CN(C)CCNC(=O)c1ccc(-c2cc3cc[nH]c3cc2C(C)(C)C)cc1.COc1ccccc1-c1cc2cc[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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate?
The InChIKey is IURREOHIIOXUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O.C20H23NO.C19H21NO.C18H24N2O.C17H24N2O.C15H19NO2.C14H19N.C13H14F3N/c1-23(2,3)20-15-21-18(10-11-24-21)14-19(20)16-6-8-17(9-7-16)22(27)25-12-13-26(4)5;1-5-22-19-9-7-6-8-15(19)16-12-14-10-11-21-18(14)13-17(16)20(2,3)4;1-19(2,3)16-12-17-13(9-10-20-17)11-15(16)14-7-5-6-8-18(14)21-4;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;1-5-18-14(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/h6-11,14-15,24H,12-13H2,1-5H3,(H,25,27);6-13,21H,5H2,1-4H3;5-12,20H,1-4H3;7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);6-9,16H,5H2,1-4H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3.
What are the key properties of 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate has a molecular weight of 2180.98 g/mol, XLogP of 35.19, 17 rotatable bonds, 10 hydrogen bond donors, and 8 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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate is sourced from PubChem (CID 158811087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).