N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen

C135H165F3N12O22 — CID 158761898

IUPACN-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen
SMILESCC(=O)NCCn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC(C)(C)c1cc2c(F)c(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(CO)(CO)NC(=O)CCCn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC1(C)Oc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc2O1.COC(=O)NCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C31H39N3O6.C28H31F2N3O6.C27H31N3O4.C25H28N2O3.C24H24FNO3.6H2/c1-29(2,3)26-15-20-14-22(8-9-23(20)34(26)13-5-6-27(37)33-30(4,17-35)18-36)32-28(38)31(11-12-31)21-7-10-24-25(16-21)40-19-39-24;1-26(2,3)23-12-16-11-18(6-7-20(16)33(23)15-19(34)14-31-25(36)37-4)32-24(35)27(9-10-27)17-5-8-21-22(13-17)39-28(29,30)38-21;1-17(31)28-11-12-30-21-7-6-20(13-18(21)14-24(30)26(2,3)4)29-25(32)27(9-10-27)19-5-8-22-23(15-19)34-16-33-22;1-23(2,3)21-13-15-12-17(7-8-18(15)27-21)26-22(28)25(10-11-25)16-6-9-19-20(14-16)30-24(4,5)29-19;1-23(2,3)20-12-16-17(26-20)6-4-14(22(16)25)10-21(27)24(8-9-24)15-5-7-18-19(11-15)29-13-28-18;;;;;;/h7-10,14-16,35-36H,5-6,11-13,17-19H2,1-4H3,(H,32,38)(H,33,37);5-8,11-13,19,34H,9-10,14-15H2,1-4H3,(H,31,36)(H,32,35);5-8,13-15H,9-12,16H2,1-4H3,(H,28,31)(H,29,32);6-9,12-14,27H,10-11H2,1-5H3,(H,26,28);4-7,11-12,26H,8-10,13H2,1-3H3;6*1H
InChIKeyIOTUTMJLKPJRCM-UHFFFAOYSA-N
MW2364.86 g/mol
LogP25.39
Rot. Bonds30

About N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen

N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen (PubChem CID 158761898) has the molecular formula C135H165F3N12O22 and a molecular weight of 2364.86 g/mol. Its IUPAC name is N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen
PubChem CID158761898
Molecular FormulaC135H165F3N12O22
Molecular Weight2364.86 g/mol
Exact Mass2363.21
IUPAC NameN-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen
SMILESCC(=O)NCCn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC(C)(C)c1cc2c(F)c(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(CO)(CO)NC(=O)CCCn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC1(C)Oc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc2O1.COC(=O)NCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C31H39N3O6.C28H31F2N3O6.C27H31N3O4.C25H28N2O3.C24H24FNO3.6H2/c1-29(2,3)26-15-20-14-22(8-9-23(20)34(26)13-5-6-27(37)33-30(4,17-35)18-36)32-28(38)31(11-12-31)21-7-10-24-25(16-21)40-19-39-24;1-26(2,3)23-12-16-11-18(6-7-20(16)33(23)15-19(34)14-31-25(36)37-4)32-24(35)27(9-10-27)17-5-8-21-22(13-17)39-28(29,30)38-21;1-17(31)28-11-12-30-21-7-6-20(13-18(21)14-24(30)26(2,3)4)29-25(32)27(9-10-27)19-5-8-22-23(15-19)34-16-33-22;1-23(2,3)21-13-15-12-17(7-8-18(15)27-21)26-22(28)25(10-11-25)16-6-9-19-20(14-16)30-24(4,5)29-19;1-23(2,3)20-12-16-17(26-20)6-4-14(22(16)25)10-21(27)24(8-9-24)15-5-7-18-19(11-15)29-13-28-18;;;;;;/h7-10,14-16,35-36H,5-6,11-13,17-19H2,1-4H3,(H,32,38)(H,33,37);5-8,11-13,19,34H,9-10,14-15H2,1-4H3,(H,31,36)(H,32,35);5-8,13-15H,9-12,16H2,1-4H3,(H,28,31)(H,29,32);6-9,12-14,27H,10-11H2,1-5H3,(H,26,28);4-7,11-12,26H,8-10,13H2,1-3H3;6*1H
InChIKeyIOTUTMJLKPJRCM-UHFFFAOYSA-N
XLogP25.39
TPSA429.36 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.86
LogP ≤ 525.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen with MolForge

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Related Compounds

N-[2-tert-butyl-1-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159895394
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159884082
N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;methyl N-[(2S)-3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen
CID 159079621
2-[5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1-[(2R)-2,3-dihydroxypropyl]indol-2-yl]-2-methylpropanoic acid;molecular hydrogen
CID 159607086
N-[2-tert-butyl-1-[(2R)-2-hydroxy-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158620687
N-(1-acetyl-2-tert-butylindol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[1-(3-amino-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(methanesulfonamidomethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2,3-dimethyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-3-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158955453
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-methoxyethyl)indol-5-yl]cyclopropane-1-carboxamide
CID 24763236
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-hydroxy-4-(methylamino)butyl]indol-5-yl]cyclopropane-1-carboxamide
CID 167278364
bis(1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide);bis(1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide);4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-2,3-dihydroindol-1-yl]butanoic acid;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;methoxymethane;4-oxobutanoic acid
CID 158517896
N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 59129490
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159516358
N-[2-tert-butyl-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59129373

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen?
The IUPAC name of N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen (CID 158761898) is N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen.
What is the SMILES notation for N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen?
The canonical SMILES for N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen is CC(=O)NCCn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC(C)(C)c1cc2c(F)c(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(CO)(CO)NC(=O)CCCn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC1(C)Oc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc2O1.COC(=O)NCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen?
The InChIKey is IOTUTMJLKPJRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O6.C28H31F2N3O6.C27H31N3O4.C25H28N2O3.C24H24FNO3.6H2/c1-29(2,3)26-15-20-14-22(8-9-23(20)34(26)13-5-6-27(37)33-30(4,17-35)18-36)32-28(38)31(11-12-31)21-7-10-24-25(16-21)40-19-39-24;1-26(2,3)23-12-16-11-18(6-7-20(16)33(23)15-19(34)14-31-25(36)37-4)32-24(35)27(9-10-27)17-5-8-21-22(13-17)39-28(29,30)38-21;1-17(31)28-11-12-30-21-7-6-20(13-18(21)14-24(30)26(2,3)4)29-25(32)27(9-10-27)19-5-8-22-23(15-19)34-16-33-22;1-23(2,3)21-13-15-12-17(7-8-18(15)27-21)26-22(28)25(10-11-25)16-6-9-19-20(14-16)30-24(4,5)29-19;1-23(2,3)20-12-16-17(26-20)6-4-14(22(16)25)10-21(27)24(8-9-24)15-5-7-18-19(11-15)29-13-28-18;;;;;;/h7-10,14-16,35-36H,5-6,11-13,17-19H2,1-4H3,(H,32,38)(H,33,37);5-8,11-13,19,34H,9-10,14-15H2,1-4H3,(H,31,36)(H,32,35);5-8,13-15H,9-12,16H2,1-4H3,(H,28,31)(H,29,32);6-9,12-14,27H,10-11H2,1-5H3,(H,26,28);4-7,11-12,26H,8-10,13H2,1-3H3;6*1H.
What are the key properties of N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen?
N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen has a molecular weight of 2364.86 g/mol, XLogP of 25.39, 30 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen is sourced from PubChem (CID 158761898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).