N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane

C191H298Cl8F4N4O11 — CID 157367586

IUPACN-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane
SMILESC.C.C.C.C.C.CC(C)(C)C(=O)NCc1ccccc1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.COc1c(C(C)(C)C)ccc(C)c1Cl.COc1c(Cl)cc(C(C)C)cc1CN(C)C.COc1c(Cl)cc(C(C)C)cc1CN1CCCCC1.COc1c(Cl)cccc1C(C)(C)C.COc1cc(C)c(C(C)(C)C)cc1C.COc1cc(Cl)cc(C(C)(C)C)c1Cl.COc1cc(OC)c(C(C)(C)C)cc1C.COc1cnc(C(C)(C)C)cc1Cl.Cc1cc(F)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(Cl)c1C(C)(C)C
InChIInChI=1S/C16H24ClNO.C13H20ClNO.C13H20O2.C13H20O.C12H17ClO.C12H17NO.C11H14Cl2O.C11H15ClO.C11H15Cl.C11H13F3O.C11H15F.2C11H16.C10H14ClNO.C10H20.C9H18.6CH4/c1-12(2)13-9-14(16(19-3)15(17)10-13)11-18-7-5-4-6-8-18;1-9(2)10-6-11(8-15(3)4)13(16-5)12(14)7-10;1-9-7-10(13(2,3)4)12(15-6)8-11(9)14-5;1-9-8-12(14-6)10(2)7-11(9)13(3,4)5;1-8-6-7-9(12(2,3)4)11(14-5)10(8)13;1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-11(2,3)8-5-7(12)6-9(14-4)10(8)13;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-8-5-9(11(2,3)4)7-10(12)6-8;1-9-6-5-7-10(8-9)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9-5-7(11)8(13-4)6-12-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;;;;;;/h9-10,12H,4-8,11H2,1-3H3;6-7,9H,8H2,1-5H3;7-8H,1-6H3;7-8H,1-6H3;6-7H,1-5H3;4-8H,9H2,1-3H3,(H,13,14);5-6H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-8H,9H2,1-3H3;5-6H,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6*1H4
InChIKeyBJJIOEBQLCDGDX-UHFFFAOYSA-N
MW3186.12 g/mol
LogP60.68
Rot. Bonds19

About N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane

N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane (PubChem CID 157367586) has the molecular formula C191H298Cl8F4N4O11 and a molecular weight of 3186.12 g/mol. Its IUPAC name is N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane.

Molecular Properties

Compound NameN-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane
PubChem CID157367586
Molecular FormulaC191H298Cl8F4N4O11
Molecular Weight3186.12 g/mol
Exact Mass3180.03
IUPAC NameN-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane
SMILESC.C.C.C.C.C.CC(C)(C)C(=O)NCc1ccccc1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.COc1c(C(C)(C)C)ccc(C)c1Cl.COc1c(Cl)cc(C(C)C)cc1CN(C)C.COc1c(Cl)cc(C(C)C)cc1CN1CCCCC1.COc1c(Cl)cccc1C(C)(C)C.COc1cc(C)c(C(C)(C)C)cc1C.COc1cc(Cl)cc(C(C)(C)C)c1Cl.COc1cc(OC)c(C(C)(C)C)cc1C.COc1cnc(C(C)(C)C)cc1Cl.Cc1cc(F)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(Cl)c1C(C)(C)C
InChIInChI=1S/C16H24ClNO.C13H20ClNO.C13H20O2.C13H20O.C12H17ClO.C12H17NO.C11H14Cl2O.C11H15ClO.C11H15Cl.C11H13F3O.C11H15F.2C11H16.C10H14ClNO.C10H20.C9H18.6CH4/c1-12(2)13-9-14(16(19-3)15(17)10-13)11-18-7-5-4-6-8-18;1-9(2)10-6-11(8-15(3)4)13(16-5)12(14)7-10;1-9-7-10(13(2,3)4)12(15-6)8-11(9)14-5;1-9-8-12(14-6)10(2)7-11(9)13(3,4)5;1-8-6-7-9(12(2,3)4)11(14-5)10(8)13;1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-11(2,3)8-5-7(12)6-9(14-4)10(8)13;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-8-5-9(11(2,3)4)7-10(12)6-8;1-9-6-5-7-10(8-9)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9-5-7(11)8(13-4)6-12-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;;;;;;/h9-10,12H,4-8,11H2,1-3H3;6-7,9H,8H2,1-5H3;7-8H,1-6H3;7-8H,1-6H3;6-7H,1-5H3;4-8H,9H2,1-3H3,(H,13,14);5-6H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-8H,9H2,1-3H3;5-6H,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6*1H4
InChIKeyBJJIOEBQLCDGDX-UHFFFAOYSA-N
XLogP60.68
TPSA140.77 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003186.12
LogP ≤ 560.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane with MolForge

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Launch Full Analysis

Related Compounds

butane;1-tert-butyl-2-methylbenzene;4-[(3-chloro-2,5-dimethylphenyl)methyl]morpholine;1-chloro-3-ethyl-2,5-dimethylbenzene;1-chloro-4-methoxy-2,5-dimethylbenzene;2-chloro-3-methoxy-1,4-dimethylbenzene;1-chloro-2,4,5-trimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2-dichloro-4-methylbenzene;1,3-dimethylpyrazole;1,4-dimethylpyrazole;ethylbenzene;ethylcyclopropane;heptane;1-isocyano-3-methylbenzene;1-isocyano-4-methylbenzene;3-methylaniline;4-methylaniline;methylcyclohexane;methylcyclopentane;3-methylthiophene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;N,N,4-trimethylaniline;bis(1,4-xylene)
CID 167604205
1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-fluorobenzene;bis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;1-tert-butyl-4-(trifluoromethoxy)benzene;methane
CID 159254629
1-tert-butyl-2-chloro-4-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);(2-tert-butylphenyl)methanol
CID 157439000
1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane
CID 159836033
4-tert-butylbenzonitrile;4-tert-butyl-2-chloro-1-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-N,N-diethylaniline;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;N-(3-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)-methylidene-oxo-piperidin-1-yl-λ6-sulfane;1-(2-tert-butylphenyl)propan-1-one;1-tert-butyl-3-propan-2-yloxybenzene;methane
CID 158614198
4-tert-butyl-2-chloro-1-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);1-tert-butyl-3-methoxy-5-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene
CID 158365886
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(cyclobutylmethoxy)benzene;4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;1-tert-butyl-4-(2,2-difluoroethoxy)benzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-4-(2,2-dimethylpropoxy)benzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-4-(2-methylpropoxy)benzene;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol
CID 158269158
1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene
CID 159260029
4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;tert-butyl N-[(4-tert-butylphenyl)methyl]carbamate;1-tert-butyl-2,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;4-tert-butyl-N-[2-(dimethylamino)ethyl]benzamide;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2-ethoxybenzene;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1-ethyl-4-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-propan-2-yloxybenzene;2-tert-butyl-1,3,5-trimethylbenzene;N,4-ditert-butylbenzenesulfonamide
CID 158438933
1-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-nitro-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 161384548
1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane
CID 162149733
1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane
CID 159514313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane?
The IUPAC name of N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane (CID 157367586) is N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane.
What is the SMILES notation for N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane?
The canonical SMILES for N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane is C.C.C.C.C.C.CC(C)(C)C(=O)NCc1ccccc1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.COc1c(C(C)(C)C)ccc(C)c1Cl.COc1c(Cl)cc(C(C)C)cc1CN(C)C.COc1c(Cl)cc(C(C)C)cc1CN1CCCCC1.COc1c(Cl)cccc1C(C)(C)C.COc1cc(C)c(C(C)(C)C)cc1C.COc1cc(Cl)cc(C(C)(C)C)c1Cl.COc1cc(OC)c(C(C)(C)C)cc1C.COc1cnc(C(C)(C)C)cc1Cl.Cc1cc(F)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(Cl)c1C(C)(C)C.
What is the InChIKey of N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane?
The InChIKey is BJJIOEBQLCDGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO.C13H20ClNO.C13H20O2.C13H20O.C12H17ClO.C12H17NO.C11H14Cl2O.C11H15ClO.C11H15Cl.C11H13F3O.C11H15F.2C11H16.C10H14ClNO.C10H20.C9H18.6CH4/c1-12(2)13-9-14(16(19-3)15(17)10-13)11-18-7-5-4-6-8-18;1-9(2)10-6-11(8-15(3)4)13(16-5)12(14)7-10;1-9-7-10(13(2,3)4)12(15-6)8-11(9)14-5;1-9-8-12(14-6)10(2)7-11(9)13(3,4)5;1-8-6-7-9(12(2,3)4)11(14-5)10(8)13;1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-11(2,3)8-5-7(12)6-9(14-4)10(8)13;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-8-5-9(11(2,3)4)7-10(12)6-8;1-9-6-5-7-10(8-9)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9-5-7(11)8(13-4)6-12-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;;;;;;/h9-10,12H,4-8,11H2,1-3H3;6-7,9H,8H2,1-5H3;7-8H,1-6H3;7-8H,1-6H3;6-7H,1-5H3;4-8H,9H2,1-3H3,(H,13,14);5-6H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-8H,9H2,1-3H3;5-6H,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6*1H4.
What are the key properties of N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane?
N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane has a molecular weight of 3186.12 g/mol, XLogP of 60.68, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethylpropanamide;1-tert-butyl-3-chloro-2-methoxybenzene;1-tert-butyl-3-chloro-2-methoxy-4-methylbenzene;2-tert-butyl-4-chloro-5-methoxypyridine;2-tert-butyl-1-chloro-3-methylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-2,5-dichloro-3-methoxybenzene;1-tert-butyl-2,4-dimethoxy-5-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;1-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine;2,2-dimethylpropylbenzene;methane is sourced from PubChem (CID 157367586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).