6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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

C107H130F3N9O6 — CID 161499001

IUPAC6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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(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.CN(C)CCNC(=O)c1ccc(-c2cc3cc[nH]c3cc2C(C)(C)C)cc1.COc1ccccc1-c1cc2cc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C23H29N3O.C20H23NO.C19H21NO.C17H24N2O.C15H19NO2.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;1-11(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;1-12(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;6-9,11,18H,10H2,1-5H3,(H,19,20);6-9,16H,5H2,1-4H3;4-7,17H,1-3H3
InChIKeyWGOZGWWBNFNJOU-UHFFFAOYSA-N
MW1695.27 g/mol
LogP27.07
Rot. Bonds15

About 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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 161499001) has the molecular formula C107H130F3N9O6 and a molecular weight of 1695.27 g/mol. Its IUPAC name is 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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 CID161499001
Molecular FormulaC107H130F3N9O6
Molecular Weight1695.27 g/mol
Exact Mass1694.01
IUPAC Name6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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(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.CN(C)CCNC(=O)c1ccc(-c2cc3cc[nH]c3cc2C(C)(C)C)cc1.COc1ccccc1-c1cc2cc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C23H29N3O.C20H23NO.C19H21NO.C17H24N2O.C15H19NO2.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;1-11(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;1-12(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;6-9,11,18H,10H2,1-5H3,(H,19,20);6-9,16H,5H2,1-4H3;4-7,17H,1-3H3
InChIKeyWGOZGWWBNFNJOU-UHFFFAOYSA-N
XLogP27.07
TPSA200.94 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.27
LogP ≤ 527.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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

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Related Compounds

(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]ethylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 162669729
(2S)-2-[[4-[[(2S)-2-[[4-[4-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]butylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201779
(2S)-2-[[4-[[(2S)-2-[[4-[8-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]octylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201786
(2S)-2-[[4-[[(2S)-2-[[4-[10-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]decylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202169
(2S)-2-[[4-[[(2S)-2-[[4-[6-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]hexylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202403
(2S)-2-[[4-[[(2S)-2-[[4-[12-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]dodecylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202466
(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
(2,3,5,6-tetrafluorophenyl) 6-[6-[6-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylate
CID 87829287
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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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 161499001) is 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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(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.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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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 WGOZGWWBNFNJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O.C20H23NO.C19H21NO.C17H24N2O.C15H19NO2.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;1-11(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;1-12(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;6-9,11,18H,10H2,1-5H3,(H,19,20);6-9,16H,5H2,1-4H3;4-7,17H,1-3H3.
What are the key properties of 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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 1695.27 g/mol, XLogP of 27.07, 15 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;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 161499001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).