4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)

C203H295N31O13S3 — CID 176547288

IUPAC4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)
SMILESCC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(CC(=O)O)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnc(-c2ccccc2)o1.CCc1ccc(C(C)(C)C)nc1.CCc1cnc(C(C)(C)C)nc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CNC(=O)c1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1nnc(C(C)(C)C)o1.Cn1nnc(C(C)(C)C)n1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C13H19NO.C13H15NS.C12H14N2O.C12H17NO.C11H15NO2.C11H15NO.C11H17N.C11H16.C10H16N2.C10H15N.C10H14.2C9H14N2.C9H13N.2C8H12N2.C8H12S.C7H12N2O.C7H11NS.C6H12N4.C5H10N4.3CO2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-11(2,3)9-5-4-8(7-12-9)6-10(13)14;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-5-9-6-7-10(12-8-9)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-5-8-6-11-9(12-7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-5-10-8(11-6-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-9-10(4)8-5;1-5(2,3)4-6-8-9-7-4;3*2-1-3/h6-9H,1-5H3;4-9H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H,13,14);4-5,7H,6H2,1-3H3,(H,13,14);4-7H,1-3H3,(H2,12,13);6-8H,5H2,1-4H3;5-8H,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;1-4H3;4-5H,1-3H3;1-4H3;1-3H3,(H,6,7,8,9);;;
InChIKeyIZIFEYRYALFNNS-UHFFFAOYSA-N
MW3474.00 g/mol
LogP47.01
Rot. Bonds9

About 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)

4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide) (PubChem CID 176547288) has the molecular formula C203H295N31O13S3 and a molecular weight of 3474.00 g/mol. Its IUPAC name is 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide).

Molecular Properties

Compound Name4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)
PubChem CID176547288
Molecular FormulaC203H295N31O13S3
Molecular Weight3474.00 g/mol
Exact Mass3471.25
IUPAC Name4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)
SMILESCC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(CC(=O)O)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnc(-c2ccccc2)o1.CCc1ccc(C(C)(C)C)nc1.CCc1cnc(C(C)(C)C)nc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CNC(=O)c1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1nnc(C(C)(C)C)o1.Cn1nnc(C(C)(C)C)n1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C13H19NO.C13H15NS.C12H14N2O.C12H17NO.C11H15NO2.C11H15NO.C11H17N.C11H16.C10H16N2.C10H15N.C10H14.2C9H14N2.C9H13N.2C8H12N2.C8H12S.C7H12N2O.C7H11NS.C6H12N4.C5H10N4.3CO2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-11(2,3)9-5-4-8(7-12-9)6-10(13)14;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-5-9-6-7-10(12-8-9)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-5-8-6-11-9(12-7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-5-10-8(11-6-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-9-10(4)8-5;1-5(2,3)4-6-8-9-7-4;3*2-1-3/h6-9H,1-5H3;4-9H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H,13,14);4-5,7H,6H2,1-3H3,(H,13,14);4-7H,1-3H3,(H2,12,13);6-8H,5H2,1-4H3;5-8H,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;1-4H3;4-5H,1-3H3;1-4H3;1-3H3,(H,6,7,8,9);;;
InChIKeyIZIFEYRYALFNNS-UHFFFAOYSA-N
XLogP47.01
TPSA614.36 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds9
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003474.00
LogP ≤ 547.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Analyze 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide) with MolForge

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Related Compounds

5-(2,5-difluoro-4-propan-2-ylphenyl)-N-ethyl-1,3,4-oxadiazol-2-amine;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(2-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
CID 158015027
2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
CID 158585348
6-imidazol-1-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylimidazol-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(1-methylpyrazol-3-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2H-tetrazol-5-yl)-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-2,7-naphthyridin-1-amine
CID 158669295
tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-methyltetrazole;5-tert-butyl-2-methyltetrazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)
CID 159109788
2-Benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 159468968
2-Benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-bromo-2-propan-2-yl-1,3-thiazole;5-ethenyl-2-propan-2-ylpyrimidine;methane;3-methylbut-1-ynylbenzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;1-(4-propan-2-ylphenyl)ethanone;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 159760375
benzyl 4-[[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 4-[(1,3-thiazole-4-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 4-[(1,3-thiazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 4-[(thiophene-3-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 4-[(1H-1,2,4-triazole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 159808713
2-(2,5-Difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
CID 160112212

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)?
The IUPAC name of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide) (CID 176547288) is 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide).
What is the SMILES notation for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)?
The canonical SMILES for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide) is CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(CC(=O)O)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnc(-c2ccccc2)o1.CCc1ccc(C(C)(C)C)nc1.CCc1cnc(C(C)(C)C)nc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CNC(=O)c1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1nnc(C(C)(C)C)o1.Cn1nnc(C(C)(C)C)n1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)?
The InChIKey is IZIFEYRYALFNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C13H15NS.C12H14N2O.C12H17NO.C11H15NO2.C11H15NO.C11H17N.C11H16.C10H16N2.C10H15N.C10H14.2C9H14N2.C9H13N.2C8H12N2.C8H12S.C7H12N2O.C7H11NS.C6H12N4.C5H10N4.3CO2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-11(2,3)9-5-4-8(7-12-9)6-10(13)14;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-5-9-6-7-10(12-8-9)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-5-8-6-11-9(12-7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-5-10-8(11-6-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-9-10(4)8-5;1-5(2,3)4-6-8-9-7-4;3*2-1-3/h6-9H,1-5H3;4-9H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H,13,14);4-5,7H,6H2,1-3H3,(H,13,14);4-7H,1-3H3,(H2,12,13);6-8H,5H2,1-4H3;5-8H,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;1-4H3;4-5H,1-3H3;1-4H3;1-3H3,(H,6,7,8,9);;;.
What are the key properties of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)?
4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide) has a molecular weight of 3474.00 g/mol, XLogP of 47.01, 9 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide) is sourced from PubChem (CID 176547288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).