3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine

C170H261N15O11S4 — CID 158045937

IUPAC3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine
SMILESCC(=O)Cc1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(C2CCNC2)c1.CC(C)(C)c1cccc(CN2CCNCC2)c1.CC(C)(C)c1cccc(CS(C)(=O)=O)c1.CC(C)(C)c1cccc(N2CCNCC2)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1NS(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCCC1c1cccc(C(C)(C)C)c1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C16H26N2.2C15H24N2.C15H23N.C14H22N2.C14H23NO.C14H21N.C13H18O.C12H18O2S.C11H17NO2S.C11H15NO.2C10H15NO2S/c1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)14-6-4-5-13(11-14)12-17-9-7-16-8-10-17;1-15(2,3)13-8-5-7-12(11-13)14-9-6-10-16(14)4;1-14(2,3)12-5-4-6-13(11-12)16-9-7-15-8-10-16;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12;1-10(14)8-11-6-5-7-12(9-11)13(2,3)4;1-12(2,3)11-7-5-6-10(8-11)9-15(4,13)14;1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-7,12H,8-11,13H2,1-4H3;5-7,12H,8-11H2,1-4H3;4-6,11,16H,7-10,12H2,1-3H3;5,7-8,11,14H,6,9-10H2,1-4H3;4-6,11,15H,7-10H2,1-3H3;6-8,11H,9-10H2,1-5H3;4-6,9,12,15H,7-8,10H2,1-3H3;5-7,9H,8H2,1-4H3;5-8H,9H2,1-4H3;5-8,12H,1-4H3;4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13)
InChIKeyFIXJFJVDNNWPOW-UHFFFAOYSA-N
MW2819.32 g/mol
LogP33.33
Rot. Bonds21

About 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine

3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine (PubChem CID 158045937) has the molecular formula C170H261N15O11S4 and a molecular weight of 2819.32 g/mol. Its IUPAC name is 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine
PubChem CID158045937
Molecular FormulaC170H261N15O11S4
Molecular Weight2819.32 g/mol
Exact Mass2816.92
IUPAC Name3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine
SMILESCC(=O)Cc1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(C2CCNC2)c1.CC(C)(C)c1cccc(CN2CCNCC2)c1.CC(C)(C)c1cccc(CS(C)(=O)=O)c1.CC(C)(C)c1cccc(N2CCNCC2)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1NS(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCCC1c1cccc(C(C)(C)C)c1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C16H26N2.2C15H24N2.C15H23N.C14H22N2.C14H23NO.C14H21N.C13H18O.C12H18O2S.C11H17NO2S.C11H15NO.2C10H15NO2S/c1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)14-6-4-5-13(11-14)12-17-9-7-16-8-10-17;1-15(2,3)13-8-5-7-12(11-13)14-9-6-10-16(14)4;1-14(2,3)12-5-4-6-13(11-12)16-9-7-15-8-10-16;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12;1-10(14)8-11-6-5-7-12(9-11)13(2,3)4;1-12(2,3)11-7-5-6-10(8-11)9-15(4,13)14;1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-7,12H,8-11,13H2,1-4H3;5-7,12H,8-11H2,1-4H3;4-6,11,16H,7-10,12H2,1-3H3;5,7-8,11,14H,6,9-10H2,1-4H3;4-6,11,15H,7-10H2,1-3H3;6-8,11H,9-10H2,1-5H3;4-6,9,12,15H,7-8,10H2,1-3H3;5-7,9H,8H2,1-4H3;5-8H,9H2,1-4H3;5-8,12H,1-4H3;4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13)
InChIKeyFIXJFJVDNNWPOW-UHFFFAOYSA-N
XLogP33.33
TPSA332.03 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002819.32
LogP ≤ 533.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine with MolForge

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Related Compounds

1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane
CID 159345811
3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one
CID 157181882
2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 157419369
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine
CID 157447527
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;3-(3-tert-butylphenyl)pyrrolidine
CID 157457324
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;3-(3-tert-butylphenyl)pyrrolidine
CID 157653213
1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;4-(2-tert-butylphenyl)morpholine;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;5-(2-tert-butylphenyl)-2H-pyrrole;1-(2-tert-butylphenyl)sulfonylpiperidine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 157727235
(4-Aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)
CID 157894500
1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-2H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpiperidine;1-(2-tert-butylphenyl)sulfonylpyrrolidine
CID 158215308
3-tert-butylbenzamide;1-tert-butyl-3-methoxybenzene;nonakis(1-tert-butyl-3-methylbenzene);hexakis(1-tert-butyl-4-methylbenzene);1-tert-butyl-3-methylsulfanylbenzene;1-tert-butyl-3-methylsulfonylbenzene;N-(3-tert-butylphenyl)acetamide;N-(3-tert-butylphenyl)methanesulfonamide;4-(3-tert-butylphenyl)morpholine
CID 158353000
2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
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5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(4-methylpiperazin-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-2-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-piperazin-1-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide
CID 158580059

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine?
The IUPAC name of 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine (CID 158045937) is 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine.
What is the SMILES notation for 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine?
The canonical SMILES for 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine is CC(=O)Cc1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(C2CCNC2)c1.CC(C)(C)c1cccc(CN2CCNCC2)c1.CC(C)(C)c1cccc(CS(C)(=O)=O)c1.CC(C)(C)c1cccc(N2CCNCC2)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1NS(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCCC1c1cccc(C(C)(C)C)c1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine?
The InChIKey is FIXJFJVDNNWPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.2C15H24N2.C15H23N.C14H22N2.C14H23NO.C14H21N.C13H18O.C12H18O2S.C11H17NO2S.C11H15NO.2C10H15NO2S/c1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)14-6-4-5-13(11-14)12-17-9-7-16-8-10-17;1-15(2,3)13-8-5-7-12(11-13)14-9-6-10-16(14)4;1-14(2,3)12-5-4-6-13(11-12)16-9-7-15-8-10-16;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12;1-10(14)8-11-6-5-7-12(9-11)13(2,3)4;1-12(2,3)11-7-5-6-10(8-11)9-15(4,13)14;1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-7,12H,8-11,13H2,1-4H3;5-7,12H,8-11H2,1-4H3;4-6,11,16H,7-10,12H2,1-3H3;5,7-8,11,14H,6,9-10H2,1-4H3;4-6,11,15H,7-10H2,1-3H3;6-8,11H,9-10H2,1-5H3;4-6,9,12,15H,7-8,10H2,1-3H3;5-7,9H,8H2,1-4H3;5-8H,9H2,1-4H3;5-8,12H,1-4H3;4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13).
What are the key properties of 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine?
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine has a molecular weight of 2819.32 g/mol, XLogP of 33.33, 21 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine is sourced from PubChem (CID 158045937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).