N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide

C269H357F21N30O17 — CID 160994460

IUPACN,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)C)cc1.CC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCNCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(NC(=O)C(F)(F)F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cccc(C(=O)N2CCNCC2)c1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(NC(=O)C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CNC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C15H21F3N2.2C15H22N2O.C14H19F3N2.C14H18F3NO.2C14H20N2O.2C14H19NO2.2C13H13F3N2.2C12H17NO.2C11H12F3NO.4C11H15NO.3C8H11N/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-11(2)12-3-5-13(6-4-12)14(17)16-9-7-15-8-10-16;1-11(2)12-4-3-5-13(10-12)14(17)16-8-6-15-7-9-16;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-7(2)8-3-5-9(6-4-8)15-10(16)11(12,13)14;1-7(2)8-4-3-5-9(6-8)15-10(16)11(12,13)14;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)12-9(3)13;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-6,11,15H,7-10H2,1-2H3;3-5,10-11,15H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2*3-9H,1-2H3;2*5-9H,1-4H3;2*3-7H,1-2H3,(H,15,16);4*4-8H,1-3H3,(H,12,13);3*3-7H,1-2H3
InChIKeyTVBGCQGBRAZRRU-UHFFFAOYSA-N
MW4681.97 g/mol
LogP59.32
Rot. Bonds41

About N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide

N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 160994460) has the molecular formula C269H357F21N30O17 and a molecular weight of 4681.97 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
PubChem CID160994460
Molecular FormulaC269H357F21N30O17
Molecular Weight4681.97 g/mol
Exact Mass4678.77
IUPAC NameN,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)C)cc1.CC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCNCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(NC(=O)C(F)(F)F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cccc(C(=O)N2CCNCC2)c1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(NC(=O)C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CNC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C15H21F3N2.2C15H22N2O.C14H19F3N2.C14H18F3NO.2C14H20N2O.2C14H19NO2.2C13H13F3N2.2C12H17NO.2C11H12F3NO.4C11H15NO.3C8H11N/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-11(2)12-3-5-13(6-4-12)14(17)16-9-7-15-8-10-16;1-11(2)12-4-3-5-13(10-12)14(17)16-8-6-15-7-9-16;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-7(2)8-3-5-9(6-4-8)15-10(16)11(12,13)14;1-7(2)8-4-3-5-9(6-8)15-10(16)11(12,13)14;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)12-9(3)13;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-6,11,15H,7-10H2,1-2H3;3-5,10-11,15H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2*3-9H,1-2H3;2*5-9H,1-4H3;2*3-7H,1-2H3,(H,15,16);4*4-8H,1-3H3,(H,12,13);3*3-7H,1-2H3
InChIKeyTVBGCQGBRAZRRU-UHFFFAOYSA-N
XLogP59.32
TPSA494.61 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds41
Heavy Atoms337
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004681.97
LogP ≤ 559.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide (CID 160994460) is N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide is CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCNCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(NC(=O)C(F)(F)F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cccc(C(=O)N2CCNCC2)c1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(NC(=O)C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CNC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is TVBGCQGBRAZRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.2C15H22N2O.C14H19F3N2.C14H18F3NO.2C14H20N2O.2C14H19NO2.2C13H13F3N2.2C12H17NO.2C11H12F3NO.4C11H15NO.3C8H11N/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-11(2)12-3-5-13(6-4-12)14(17)16-9-7-15-8-10-16;1-11(2)12-4-3-5-13(10-12)14(17)16-8-6-15-7-9-16;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-7(2)8-3-5-9(6-4-8)15-10(16)11(12,13)14;1-7(2)8-4-3-5-9(6-8)15-10(16)11(12,13)14;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)12-9(3)13;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-6,11,15H,7-10H2,1-2H3;3-5,10-11,15H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2*3-9H,1-2H3;2*5-9H,1-4H3;2*3-7H,1-2H3,(H,15,16);4*4-8H,1-3H3,(H,12,13);3*3-7H,1-2H3.
What are the key properties of N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 4681.97 g/mol, XLogP of 59.32, 41 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzamide;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 160994460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).