1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole

C177H240F2N12O13S — CID 158283202

IUPAC1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)C(=O)Cc1ccc2c(c1)OCO2.CC(C)C(=O)Cc1ccc2cn(C)nc2c1.CC(C)C(=O)Cc1ccccc1Oc1ccccc1.CC(C)Cn1cc(C(C)C)cn1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CC(C)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1cnn(C(C)c2ccccc2)c1.CCCn1c(C(C)C)cc2ccccc21.COc1cccc(NC(=O)C(C)C)c1.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1C
InChIInChI=1S/C17H18O2.C15H23NO2S.C14H18N2.C14H21NO2.C14H21NO.C14H19N.C13H16N2O.C12H15N.C12H14O3.C11H15NO2.2C11H16.C10H18N2.C9H10F2/c1-13(2)16(18)12-14-8-6-7-11-17(14)19-15-9-4-3-5-10-15;1-10(2)13-8-11-9-16(7-6-12(11)19-13)14(17)18-15(3,4)5;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-4-9-15-13-8-6-5-7-12(13)10-14(15)11(2)3;1-9(2)13(16)7-10-4-5-11-8-15(3)14-12(11)6-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)10(13)5-9-3-4-11-12(6-9)15-7-14-11;1-8(2)11(13)12-9-5-4-6-10(7-9)14-3;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)6-12-7-10(5-11-12)9(3)4;1-6(2)7-3-4-8(10)9(11)5-7/h3-11,13H,12H2,1-2H3;8,10H,6-7,9H2,1-5H3;4-12H,1-3H3;6-10H,1-5H3,(H,15,16);6-10H,1-5H3,(H,15,16);5-8,10-11H,4,9H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8,13H,1-3H3;3-4,6,8H,5,7H2,1-2H3;4-8H,1-3H3,(H,12,13);2*5-8H,1-4H3;5,7-9H,6H2,1-4H3;3-6H,1-2H3
InChIKeyGKLMDZCPNCNWMF-UHFFFAOYSA-N
MW2814.00 g/mol
LogP46.36
Rot. Bonds31

About 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole

1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole (PubChem CID 158283202) has the molecular formula C177H240F2N12O13S and a molecular weight of 2814.00 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole
PubChem CID158283202
Molecular FormulaC177H240F2N12O13S
Molecular Weight2814.00 g/mol
Exact Mass2811.82
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)C(=O)Cc1ccc2c(c1)OCO2.CC(C)C(=O)Cc1ccc2cn(C)nc2c1.CC(C)C(=O)Cc1ccccc1Oc1ccccc1.CC(C)Cn1cc(C(C)C)cn1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CC(C)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1cnn(C(C)c2ccccc2)c1.CCCn1c(C(C)C)cc2ccccc21.COc1cccc(NC(=O)C(C)C)c1.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1C
InChIInChI=1S/C17H18O2.C15H23NO2S.C14H18N2.C14H21NO2.C14H21NO.C14H19N.C13H16N2O.C12H15N.C12H14O3.C11H15NO2.2C11H16.C10H18N2.C9H10F2/c1-13(2)16(18)12-14-8-6-7-11-17(14)19-15-9-4-3-5-10-15;1-10(2)13-8-11-9-16(7-6-12(11)19-13)14(17)18-15(3,4)5;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-4-9-15-13-8-6-5-7-12(13)10-14(15)11(2)3;1-9(2)13(16)7-10-4-5-11-8-15(3)14-12(11)6-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)10(13)5-9-3-4-11-12(6-9)15-7-14-11;1-8(2)11(13)12-9-5-4-6-10(7-9)14-3;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)6-12-7-10(5-11-12)9(3)4;1-6(2)7-3-4-8(10)9(11)5-7/h3-11,13H,12H2,1-2H3;8,10H,6-7,9H2,1-5H3;4-12H,1-3H3;6-10H,1-5H3,(H,15,16);6-10H,1-5H3,(H,15,16);5-8,10-11H,4,9H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8,13H,1-3H3;3-4,6,8H,5,7H2,1-2H3;4-8H,1-3H3,(H,12,13);2*5-8H,1-4H3;5,7-9H,6H2,1-4H3;3-6H,1-2H3
InChIKeyGKLMDZCPNCNWMF-UHFFFAOYSA-N
XLogP46.36
TPSA288.38 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds31
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002814.00
LogP ≤ 546.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 159644134
1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 164988231
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-1H-indole-4-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 158140159
1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;4-tert-butyl-1-chloro-2-methylbenzene;2-tert-butyl-1H-indole;4-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;2-methyl-N-[3-(oxetan-3-yloxy)phenyl]propanamide;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole
CID 159339242
1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;4-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1-(difluoromethyl)-3-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;2-methyl-N-[3-(oxetan-3-yloxy)phenyl]propanamide;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole
CID 159750681
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
CID 172918055
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]cyclohexa-1,5-dien-1-yl]pyridine-2-carboxamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
CID 172929102
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 172933041
1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
CID 172938390
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
CID 172953752

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole (CID 158283202) is 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole is CC(C)(C)c1cc2ccccc2[nH]1.CC(C)C(=O)Cc1ccc2c(c1)OCO2.CC(C)C(=O)Cc1ccc2cn(C)nc2c1.CC(C)C(=O)Cc1ccccc1Oc1ccccc1.CC(C)Cn1cc(C(C)C)cn1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CC(C)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1cnn(C(C)c2ccccc2)c1.CCCn1c(C(C)C)cc2ccccc21.COc1cccc(NC(=O)C(C)C)c1.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1C.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole?
The InChIKey is GKLMDZCPNCNWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.C15H23NO2S.C14H18N2.C14H21NO2.C14H21NO.C14H19N.C13H16N2O.C12H15N.C12H14O3.C11H15NO2.2C11H16.C10H18N2.C9H10F2/c1-13(2)16(18)12-14-8-6-7-11-17(14)19-15-9-4-3-5-10-15;1-10(2)13-8-11-9-16(7-6-12(11)19-13)14(17)18-15(3,4)5;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-4-9-15-13-8-6-5-7-12(13)10-14(15)11(2)3;1-9(2)13(16)7-10-4-5-11-8-15(3)14-12(11)6-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)10(13)5-9-3-4-11-12(6-9)15-7-14-11;1-8(2)11(13)12-9-5-4-6-10(7-9)14-3;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)6-12-7-10(5-11-12)9(3)4;1-6(2)7-3-4-8(10)9(11)5-7/h3-11,13H,12H2,1-2H3;8,10H,6-7,9H2,1-5H3;4-12H,1-3H3;6-10H,1-5H3,(H,15,16);6-10H,1-5H3,(H,15,16);5-8,10-11H,4,9H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8,13H,1-3H3;3-4,6,8H,5,7H2,1-2H3;4-8H,1-3H3,(H,12,13);2*5-8H,1-4H3;5,7-9H,6H2,1-4H3;3-6H,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole?
1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole has a molecular weight of 2814.00 g/mol, XLogP of 46.36, 31 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole is sourced from PubChem (CID 158283202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).