2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine

C219H292F4N14O13S2 — CID 161035529

IUPAC2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine
SMILESCC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(cnn2S(C)(=O)=O)c1.CC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1ccc2c(c1)CCN2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cnn(-c2cccnc2)c1.COCc1ccc(C(C)(C)C)cc1.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C15H23NO2.C15H16.C14H21NO2.C14H15NO.C14H21NO.C13H17NO.C12H16N2O2S.C12H17N.C12H15N.2C12H18O.C12H16.C11H13N3.C11H14N2.C11H16.C10H12F2.C10H14O2S.C9H10F2/c1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-11(2)6-7-12-4-3-5-13(8-12)14-9-15-10-16-14;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-10(2)7-8-12-5-4-6-13(9-12)14-11(3)15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)17(4,15)16;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-10(2)4-7-12-8-5-11(3)6-9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-6(2)7-3-4-8(10)9(11)5-7/h7-11H,1-6H3;3-12H,1-2H3;6-10H,1-5H3,(H,15,16);3-11H,1-2H3;6-10H,1-5H3,(H,15,16);4-10H,1-3H3,(H,14,15);5-8H,1-4H3;4-5,8-9H,6-7H2,1-3H3;4-8,13H,1-3H3;5-8H,9H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;5-8H,1-4H3;3-7,10H,1-2H3;4-8H,1-3H3;3-6H,1-2H3/b;;;7-6+;;8-7+;;;;;;7-4+;;;;;;
InChIKeyUAEWUIBHSCNMFE-LNVPYUQESA-N
MW3468.96 g/mol
LogP59.63
Rot. Bonds32

About 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine

2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine (PubChem CID 161035529) has the molecular formula C219H292F4N14O13S2 and a molecular weight of 3468.96 g/mol. Its IUPAC name is 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine
PubChem CID161035529
Molecular FormulaC219H292F4N14O13S2
Molecular Weight3468.96 g/mol
Exact Mass3466.20
IUPAC Name2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine
SMILESCC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(cnn2S(C)(=O)=O)c1.CC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1ccc2c(c1)CCN2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cnn(-c2cccnc2)c1.COCc1ccc(C(C)(C)C)cc1.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C15H23NO2.C15H16.C14H21NO2.C14H15NO.C14H21NO.C13H17NO.C12H16N2O2S.C12H17N.C12H15N.2C12H18O.C12H16.C11H13N3.C11H14N2.C11H16.C10H12F2.C10H14O2S.C9H10F2/c1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-11(2)6-7-12-4-3-5-13(8-12)14-9-15-10-16-14;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-10(2)7-8-12-5-4-6-13(9-12)14-11(3)15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)17(4,15)16;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-10(2)4-7-12-8-5-11(3)6-9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-6(2)7-3-4-8(10)9(11)5-7/h7-11H,1-6H3;3-12H,1-2H3;6-10H,1-5H3,(H,15,16);3-11H,1-2H3;6-10H,1-5H3,(H,15,16);4-10H,1-3H3,(H,14,15);5-8H,1-4H3;4-5,8-9H,6-7H2,1-3H3;4-8,13H,1-3H3;5-8H,9H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;5-8H,1-4H3;3-7,10H,1-2H3;4-8H,1-3H3;3-6H,1-2H3/b;;;7-6+;;8-7+;;;;;;7-4+;;;;;;
InChIKeyUAEWUIBHSCNMFE-LNVPYUQESA-N
XLogP59.63
TPSA324.22 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003468.96
LogP ≤ 559.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole
CID 157559688
tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole
CID 162041355
5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;1,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
CID 158413846
N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one
CID 158686242
tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 158847614
N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one
CID 159014429
2-tert-butyl-1H-indole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-(4-propan-2-ylphenyl)acetate;1-(difluoromethyl)-3-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 159969504
3-tert-butyl-N-cyclopropylbenzamide;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;1,6-dimethyl-5-propan-2-ylindazole;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one
CID 161429105
3-benzyl-1-methyl-4-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzenesulfonamide
CID 161525954
1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 162021935
1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one
CID 162147621

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
The IUPAC name of 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine (CID 161035529) is 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine is CC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(cnn2S(C)(=O)=O)c1.CC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1ccc2c(c1)CCN2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cnn(-c2cccnc2)c1.COCc1ccc(C(C)(C)C)cc1.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(/C=C/C(C)C)cc1.
What is the InChIKey of 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
The InChIKey is UAEWUIBHSCNMFE-LNVPYUQESA-N. The full InChI is InChI=1S/C15H23NO2.C15H16.C14H21NO2.C14H15NO.C14H21NO.C13H17NO.C12H16N2O2S.C12H17N.C12H15N.2C12H18O.C12H16.C11H13N3.C11H14N2.C11H16.C10H12F2.C10H14O2S.C9H10F2/c1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-11(2)6-7-12-4-3-5-13(8-12)14-9-15-10-16-14;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-10(2)7-8-12-5-4-6-13(9-12)14-11(3)15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)17(4,15)16;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-10(2)4-7-12-8-5-11(3)6-9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-6(2)7-3-4-8(10)9(11)5-7/h7-11H,1-6H3;3-12H,1-2H3;6-10H,1-5H3,(H,15,16);3-11H,1-2H3;6-10H,1-5H3,(H,15,16);4-10H,1-3H3,(H,14,15);5-8H,1-4H3;4-5,8-9H,6-7H2,1-3H3;4-8,13H,1-3H3;5-8H,9H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;5-8H,1-4H3;3-7,10H,1-2H3;4-8H,1-3H3;3-6H,1-2H3/b;;;7-6+;;8-7+;;;;;;7-4+;;;;;;.
What are the key properties of 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine has a molecular weight of 3468.96 g/mol, XLogP of 59.63, 32 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-indole;1-tert-butyl-4-(methoxymethyl)benzene;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;5-tert-butyl-1-methylsulfonylindazole;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;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;3-(4-propan-2-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 161035529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).