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

C191H276N16O12S — CID 161429105

IUPAC3-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
SMILESCC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)/C=C/c1cccnc1.CC(C)OCC1CC1.CC(C)OCc1cccnc1.CC(C)Oc1cncc(NC(=O)C(C)C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CC(C)c1cnn(C(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.COCc1ccc(C(C)(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc2c(cnn2C)cc1C(C)C.Cc1cc2nn(C)cc2cc1C(C)C
InChIInChI=1S/C16H25NO2S.C16H24O2.C14H19NO.C13H17NO.C13H17N.C12H18N2O2.3C12H16N2.C12H18O.C12H16O.C12H18.C10H13N.C9H16N2.C9H13NO.C7H14O/c1-15(2,3)12-11-13-9-7-8-10-14(13)20(18,19)17-16(4,5)6;1-12(2)14-8-6-7-13(11-14)9-10-15(17)18-16(3,4)5;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-8(2)12(15)14-10-5-11(7-13-6-10)16-9(3)4;1-8(2)11-6-10-7-14(4)13-12(10)5-9(11)3;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-4-12(13)11-7-5-10(6-8-11)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)5-6-10-4-3-7-11-8-10;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-7-9-4-3-5-10-6-9;1-6(2)8-5-7-3-4-7/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);4-10H,1-3H3,(H,14,15);5-8,14H,1-4H3;5-9H,1-4H3,(H,14,15);3*5-8H,1-4H3;5-8H,9H2,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3;5-8H,1-4H3;3-6,8H,7H2,1-2H3;6-7H,3-5H2,1-2H3/b;;;9-8+;;;;;;;;;6-5+;;;
InChIKeyVXTRZKSPSUSXLG-KNBLUBSGSA-N
MW3020.48 g/mol
LogP48.98
Rot. Bonds36

About 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

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 (PubChem CID 161429105) has the molecular formula C191H276N16O12S and a molecular weight of 3020.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID161429105
Molecular FormulaC191H276N16O12S
Molecular Weight3020.48 g/mol
Exact Mass3018.12
IUPAC Name3-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
SMILESCC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)/C=C/c1cccnc1.CC(C)OCC1CC1.CC(C)OCc1cccnc1.CC(C)Oc1cncc(NC(=O)C(C)C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CC(C)c1cnn(C(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.COCc1ccc(C(C)(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc2c(cnn2C)cc1C(C)C.Cc1cc2nn(C)cc2cc1C(C)C
InChIInChI=1S/C16H25NO2S.C16H24O2.C14H19NO.C13H17NO.C13H17N.C12H18N2O2.3C12H16N2.C12H18O.C12H16O.C12H18.C10H13N.C9H16N2.C9H13NO.C7H14O/c1-15(2,3)12-11-13-9-7-8-10-14(13)20(18,19)17-16(4,5)6;1-12(2)14-8-6-7-13(11-14)9-10-15(17)18-16(3,4)5;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-8(2)12(15)14-10-5-11(7-13-6-10)16-9(3)4;1-8(2)11-6-10-7-14(4)13-12(10)5-9(11)3;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-4-12(13)11-7-5-10(6-8-11)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)5-6-10-4-3-7-11-8-10;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-7-9-4-3-5-10-6-9;1-6(2)8-5-7-3-4-7/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);4-10H,1-3H3,(H,14,15);5-8,14H,1-4H3;5-9H,1-4H3,(H,14,15);3*5-8H,1-4H3;5-8H,9H2,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3;5-8H,1-4H3;3-6,8H,7H2,1-2H3;6-7H,3-5H2,1-2H3/b;;;9-8+;;;;;;;;;6-5+;;;
InChIKeyVXTRZKSPSUSXLG-KNBLUBSGSA-N
XLogP48.98
TPSA339.50 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003020.48
LogP ≤ 548.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Related Compounds

tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine
CID 157058764
(4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 157454207
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
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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
CID 158753443
N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-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
CID 158795512
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
1-(benzenesulfonyl)-2-propan-2-ylindole;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;1,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;3-[(E)-3-methylbut-1-enyl]pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
CID 158911925
N-benzhydryl-2-methylpropanamide;tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;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;3-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butan-2-one;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
CID 158920438
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
tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2-tert-butyl-1-(4-fluorophenyl)sulfonyl-1H-indene;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
CID 159080704
N-benzhydryl-2-methylpropanamide;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;1-ethyl-4-propan-2-ylpyrazole;3-methyl-1-(1-methylindazol-3-yl)butan-2-one;3-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butan-2-one;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;[(1S)-1-propan-2-yloxyethyl]benzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 159832589

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)/C=C/c1cccnc1.CC(C)OCC1CC1.CC(C)OCc1cccnc1.CC(C)Oc1cncc(NC(=O)C(C)C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CC(C)c1cnn(C(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.COCc1ccc(C(C)(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc2c(cnn2C)cc1C(C)C.Cc1cc2nn(C)cc2cc1C(C)C.
What is the InChIKey of 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?
The InChIKey is VXTRZKSPSUSXLG-KNBLUBSGSA-N. The full InChI is InChI=1S/C16H25NO2S.C16H24O2.C14H19NO.C13H17NO.C13H17N.C12H18N2O2.3C12H16N2.C12H18O.C12H16O.C12H18.C10H13N.C9H16N2.C9H13NO.C7H14O/c1-15(2,3)12-11-13-9-7-8-10-14(13)20(18,19)17-16(4,5)6;1-12(2)14-8-6-7-13(11-14)9-10-15(17)18-16(3,4)5;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-8(2)12(15)14-10-5-11(7-13-6-10)16-9(3)4;1-8(2)11-6-10-7-14(4)13-12(10)5-9(11)3;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-4-12(13)11-7-5-10(6-8-11)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)5-6-10-4-3-7-11-8-10;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-7-9-4-3-5-10-6-9;1-6(2)8-5-7-3-4-7/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);4-10H,1-3H3,(H,14,15);5-8,14H,1-4H3;5-9H,1-4H3,(H,14,15);3*5-8H,1-4H3;5-8H,9H2,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3;5-8H,1-4H3;3-6,8H,7H2,1-2H3;6-7H,3-5H2,1-2H3/b;;;9-8+;;;;;;;;;6-5+;;;.
What are the key properties of 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?
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 has a molecular weight of 3020.48 g/mol, XLogP of 48.98, 36 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161429105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).