cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide

C234H400F16N16O15 — CID 167685952

IUPACcumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide
SMILESC=C(C)C(C)C.CC(C)C(=O)N(C)C.CC(C)C(=O)NC(F)(F)F.CC(C)C(=O)NC1CC1.CC(C)C(=O)NCC(F)(F)F.CC(C)C(C)(C)C.CC(C)C(C)(C)CF.CC(C)C(C)(C)CO.CC(C)C(C)(C)F.CC(C)C(C)C.CC(C)C(F)(F)F.CC(C)C(N)=O.CC(C)C1CC1.CC(C)OC(C)C.CC(C)OCC(F)(F)F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CNC(=O)C(C)C.COC(C)(C)C(C)C.COC(C)C.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1F
InChIInChI=1S/C15H16O.C14H21N.C11H13N.C10H13F.3C10H14O.C9H11F.C9H14N2.C9H16N2.C9H12.C7H15F.2C7H12N2.C7H13NO.2C7H16O.C7H16.C6H10F3NO.C6H13F.C6H13NO.C6H14O.C6H12.C6H14.C6H12.C5H8F3NO.C5H9F3O.C5H11NO.C4H7F3.C4H9NO.C4H10O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-9(7-11)4-6-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-6-11(10-9)8-3-4-8;1-7(2)9-5-6-11(10-9)8(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)7(3,4)5-8;2*1-6(2)7-4-5-9(3)8-7;1-5(2)7(9)8-6-3-4-6;1-6(2)7(3,4)8-5;1-6(2)7(3,4)5-8;1-6(2)7(3,4)5;1-4(2)5(11)10-3-6(7,8)9;1-5(2)6(3,4)7;1-5(2)6(8)7(3)4;1-5(2)7-6(3)4;1-5(2)6-3-4-6;2*1-5(2)6(3)4;1-3(2)4(10)9-5(6,7)8;1-4(2)9-3-5(6,7)8;1-4(2)5(7)6-3;1-3(2)4(5,6)7;1-3(2)4(5)6;1-4(2)5-3/h3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;3-8H,1-2H3;6H,5H2,1-4H3;2*4-6H,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9);6H,1-5H3;6,8H,5H2,1-4H3;6H,1-5H3;4H,3H2,1-2H3,(H,10,11);5H,1-4H3;5H,1-4H3;5-6H,1-4H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;6H,1H2,2-4H3;3H,1-2H3,(H,9,10);4H,3H2,1-2H3;4H,1-3H3,(H,6,7);3H,1-2H3;3H,1-2H3,(H2,5,6);4H,1-3H3
InChIKeyWFIIQKBVIMWAHY-UHFFFAOYSA-N
MW3981.84 g/mol
LogP66.49
Rot. Bonds44

About cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide

cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide (PubChem CID 167685952) has the molecular formula C234H400F16N16O15 and a molecular weight of 3981.84 g/mol. Its IUPAC name is cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide.

Molecular Properties

Compound Namecumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide
PubChem CID167685952
Molecular FormulaC234H400F16N16O15
Molecular Weight3981.84 g/mol
Exact Mass3979.08
IUPAC Namecumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide
SMILESC=C(C)C(C)C.CC(C)C(=O)N(C)C.CC(C)C(=O)NC(F)(F)F.CC(C)C(=O)NC1CC1.CC(C)C(=O)NCC(F)(F)F.CC(C)C(C)(C)C.CC(C)C(C)(C)CF.CC(C)C(C)(C)CO.CC(C)C(C)(C)F.CC(C)C(C)C.CC(C)C(F)(F)F.CC(C)C(N)=O.CC(C)C1CC1.CC(C)OC(C)C.CC(C)OCC(F)(F)F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CNC(=O)C(C)C.COC(C)(C)C(C)C.COC(C)C.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1F
InChIInChI=1S/C15H16O.C14H21N.C11H13N.C10H13F.3C10H14O.C9H11F.C9H14N2.C9H16N2.C9H12.C7H15F.2C7H12N2.C7H13NO.2C7H16O.C7H16.C6H10F3NO.C6H13F.C6H13NO.C6H14O.C6H12.C6H14.C6H12.C5H8F3NO.C5H9F3O.C5H11NO.C4H7F3.C4H9NO.C4H10O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-9(7-11)4-6-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-6-11(10-9)8-3-4-8;1-7(2)9-5-6-11(10-9)8(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)7(3,4)5-8;2*1-6(2)7-4-5-9(3)8-7;1-5(2)7(9)8-6-3-4-6;1-6(2)7(3,4)8-5;1-6(2)7(3,4)5-8;1-6(2)7(3,4)5;1-4(2)5(11)10-3-6(7,8)9;1-5(2)6(3,4)7;1-5(2)6(8)7(3)4;1-5(2)7-6(3)4;1-5(2)6-3-4-6;2*1-5(2)6(3)4;1-3(2)4(10)9-5(6,7)8;1-4(2)9-3-5(6,7)8;1-4(2)5(7)6-3;1-3(2)4(5,6)7;1-3(2)4(5)6;1-4(2)5-3/h3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;3-8H,1-2H3;6H,5H2,1-4H3;2*4-6H,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9);6H,1-5H3;6,8H,5H2,1-4H3;6H,1-5H3;4H,3H2,1-2H3,(H,10,11);5H,1-4H3;5H,1-4H3;5-6H,1-4H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;6H,1H2,2-4H3;3H,1-2H3,(H,9,10);4H,3H2,1-2H3;4H,1-3H3,(H,6,7);3H,1-2H3;3H,1-2H3,(H2,5,6);4H,1-3H3
InChIKeyWFIIQKBVIMWAHY-UHFFFAOYSA-N
XLogP66.49
TPSA375.18 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds44
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003981.84
LogP ≤ 566.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide with MolForge

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Related Compounds

3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;3-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158207141
6-(3-butoxyphenyl)-3-methyl-2H-indazole;5-(4-tert-butylphenyl)-1H-indol-3-amine;2-(3-methyl-2H-indazol-6-yl)phenol;[2-(3-methyl-2H-indazol-5-yl)phenyl]methanol;3-methyl-6-(2-phenoxyphenyl)-2H-indazole;5-[4-(2-methylpropyl)phenyl]-1H-indol-3-amine;3-methyl-6-[3-(trifluoromethyl)phenyl]-2H-indazole;3-methyl-6-[4-(trifluoromethyl)phenyl]-2H-indazole;5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-amine;5-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine
CID 161824242
6-(difluoromethoxy)-N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethoxy)pyridine-3-carboxamide
CID 167631362
cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide
CID 167681780
1-tert-butyl-2-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-methyl-5-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
CID 157056010
1-tert-butyl-2-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-(2-methylpropyl)-5-propan-2-ylpyridine;3-phenyl-1-propan-2-ylpiperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
CID 157770079
1-tert-butyl-2-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-methyl-5-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
CID 160516145
1-tert-butyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylindazole;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;[(E)-3-methylbut-1-enyl]benzene;1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole
CID 160522809
CID 160764700
CID 160764700
1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160859753
1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;5-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
CID 161941454
6-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]-N,N-dimethylhexan-1-amine;6-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]hexan-1-ol;3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole;6-[3-fluoro-4-(1-methylindazol-3-yl)phenoxy]-N-methylhexan-1-amine;5-[3-fluoro-4-(6-methyl-1H-indazol-3-yl)phenoxy]-N-methylpentan-1-amine;3-(2-fluoro-4-octoxyphenyl)-1,6-dimethylindazole;3-(2-fluoro-4-octoxyphenyl)-1,6-dimethylindole;3-(2-fluoro-4-octoxyphenyl)-6-methyl-1H-indazole;3-(2-fluoro-4-octoxyphenyl)-6-methyl-1H-indole
CID 162015543

Frequently Asked Questions

What is the IUPAC name of cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide?
The IUPAC name of cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide (CID 167685952) is cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide.
What is the SMILES notation for cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide?
The canonical SMILES for cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide is C=C(C)C(C)C.CC(C)C(=O)N(C)C.CC(C)C(=O)NC(F)(F)F.CC(C)C(=O)NC1CC1.CC(C)C(=O)NCC(F)(F)F.CC(C)C(C)(C)C.CC(C)C(C)(C)CF.CC(C)C(C)(C)CO.CC(C)C(C)(C)F.CC(C)C(C)C.CC(C)C(F)(F)F.CC(C)C(N)=O.CC(C)C1CC1.CC(C)OC(C)C.CC(C)OCC(F)(F)F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CNC(=O)C(C)C.COC(C)(C)C(C)C.COC(C)C.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1F.
What is the InChIKey of cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide?
The InChIKey is WFIIQKBVIMWAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C14H21N.C11H13N.C10H13F.3C10H14O.C9H11F.C9H14N2.C9H16N2.C9H12.C7H15F.2C7H12N2.C7H13NO.2C7H16O.C7H16.C6H10F3NO.C6H13F.C6H13NO.C6H14O.C6H12.C6H14.C6H12.C5H8F3NO.C5H9F3O.C5H11NO.C4H7F3.C4H9NO.C4H10O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-9(7-11)4-6-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-6-11(10-9)8-3-4-8;1-7(2)9-5-6-11(10-9)8(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)7(3,4)5-8;2*1-6(2)7-4-5-9(3)8-7;1-5(2)7(9)8-6-3-4-6;1-6(2)7(3,4)8-5;1-6(2)7(3,4)5-8;1-6(2)7(3,4)5;1-4(2)5(11)10-3-6(7,8)9;1-5(2)6(3,4)7;1-5(2)6(8)7(3)4;1-5(2)7-6(3)4;1-5(2)6-3-4-6;2*1-5(2)6(3)4;1-3(2)4(10)9-5(6,7)8;1-4(2)9-3-5(6,7)8;1-4(2)5(7)6-3;1-3(2)4(5,6)7;1-3(2)4(5)6;1-4(2)5-3/h3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;3-8H,1-2H3;6H,5H2,1-4H3;2*4-6H,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9);6H,1-5H3;6,8H,5H2,1-4H3;6H,1-5H3;4H,3H2,1-2H3,(H,10,11);5H,1-4H3;5H,1-4H3;5-6H,1-4H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;6H,1H2,2-4H3;3H,1-2H3,(H,9,10);4H,3H2,1-2H3;4H,1-3H3,(H,6,7);3H,1-2H3;3H,1-2H3,(H2,5,6);4H,1-3H3.
What are the key properties of cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide?
cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide has a molecular weight of 3981.84 g/mol, XLogP of 66.49, 44 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N-cyclopropyl-2-methylpropanamide;1-cyclopropyl-3-propan-2-ylpyrazole;2,3-dimethylbutane;2,3-dimethylbut-1-ene;N,2-dimethylpropanamide;1,3-di(propan-2-yl)pyrazole;2-fluoro-2,3-dimethylbutane;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-2,2,3-trimethylbutane;2-methoxy-2,3-dimethylbutane;2-methoxypropane;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;bis(1-methyl-3-propan-2-ylpyrazole);2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-N-(trifluoromethyl)propanamide;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol;N,N,2-trimethylpropanamide is sourced from PubChem (CID 167685952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).