tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene

C141H197F6N11O13 — CID 160853119

IUPACtert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene
SMILESCC(C)(C)OC(=O)CCCCOc1ccc(C(C)(C)C)cc1.CC(C)(C)OC(=O)n1ncc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc(N2CCCC2=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OCCCn2ccnc2)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CN(C(=O)C(F)(F)F)c1cccc(C(C)(C)C)n1.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C19H30O3.C16H22N2O2.C16H22N2O.C16H23NO2.C14H21NO.C14H19NO.C12H15F3N2O.C12H16N2.C11H13F3O.C11H16O/c1-18(2,3)15-10-12-16(13-11-15)21-14-8-7-9-17(20)22-19(4,5)6;1-15(2,3)12-7-8-13-11(9-12)10-17-18(13)14(19)20-16(4,5)6;1-16(2,3)14-6-4-7-15(12-14)19-11-5-9-18-10-8-17-13-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)11-6-8-12(9-7-11)15-10-4-5-13(15)16;1-11(2,3)8-6-5-7-9(16-8)17(4)10(18)12(13,14)15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12/h10-13H,7-9,14H2,1-6H3;7-10H,1-6H3;4,6-8,10,12-13H,5,9,11H2,1-3H3;4,6-7,12H,5,8-11H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,4-5,10H2,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-7,12H,8H2,1-3H3
InChIKeySJNFKSKEWJBOTH-UHFFFAOYSA-N
MW2368.18 g/mol
LogP33.69
Rot. Bonds20

About tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene

tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene (PubChem CID 160853119) has the molecular formula C141H197F6N11O13 and a molecular weight of 2368.18 g/mol. Its IUPAC name is tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Nametert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene
PubChem CID160853119
Molecular FormulaC141H197F6N11O13
Molecular Weight2368.18 g/mol
Exact Mass2366.50
IUPAC Nametert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene
SMILESCC(C)(C)OC(=O)CCCCOc1ccc(C(C)(C)C)cc1.CC(C)(C)OC(=O)n1ncc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc(N2CCCC2=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OCCCn2ccnc2)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CN(C(=O)C(F)(F)F)c1cccc(C(C)(C)C)n1.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C19H30O3.C16H22N2O2.C16H22N2O.C16H23NO2.C14H21NO.C14H19NO.C12H15F3N2O.C12H16N2.C11H13F3O.C11H16O/c1-18(2,3)15-10-12-16(13-11-15)21-14-8-7-9-17(20)22-19(4,5)6;1-15(2,3)12-7-8-13-11(9-12)10-17-18(13)14(19)20-16(4,5)6;1-16(2,3)14-6-4-7-15(12-14)19-11-5-9-18-10-8-17-13-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)11-6-8-12(9-7-11)15-10-4-5-13(15)16;1-11(2,3)8-6-5-7-9(16-8)17(4)10(18)12(13,14)15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12/h10-13H,7-9,14H2,1-6H3;7-10H,1-6H3;4,6-8,10,12-13H,5,9,11H2,1-3H3;4,6-7,12H,5,8-11H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,4-5,10H2,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-7,12H,8H2,1-3H3
InChIKeySJNFKSKEWJBOTH-UHFFFAOYSA-N
XLogP33.69
TPSA249.50 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.18
LogP ≤ 533.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene
CID 157073393
tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
CID 159529975
tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
CID 159529976
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 159916769
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl N-[3-(4-tert-butylphenoxy)propyl]carbamate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-indazole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 160733895
methane;7-[[4-[1-(2-methoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methylindazol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160793590
tert-butyl 5-tert-butylindazole-1-carboxylate;1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2,2,2-trifluoroethanone;6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;(3-tert-butylphenyl)methanol;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide
CID 161274953
7-[[4-[1-(2-methoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methylindazol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167668077
1-[3-[1-(Difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyridin-4-yl]-4-methylpiperidine-4-carbonitrile;1-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;4-methyl-1-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate;bis(4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile);4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylic acid;2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxamide;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-ol
CID 158435767
[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;1-[5-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]-N,N-dimethylmethanamine;4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;[5-[4-fluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]methanamine;1-[5-[3-fluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]-N-methylmethanamine
CID 163871542
[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-8aH-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylmethanamine;4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;[5-[4-fluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]methanamine;1-[5-[3-fluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]-N-methylmethanamine
CID 164023783

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene?
The IUPAC name of tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene (CID 160853119) is tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene is CC(C)(C)OC(=O)CCCCOc1ccc(C(C)(C)C)cc1.CC(C)(C)OC(=O)n1ncc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc(N2CCCC2=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OCCCn2ccnc2)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CN(C(=O)C(F)(F)F)c1cccc(C(C)(C)C)n1.Cn1ncc2cc(C(C)(C)C)ccc21.
What is the InChIKey of tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene?
The InChIKey is SJNFKSKEWJBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3.C16H22N2O2.C16H22N2O.C16H23NO2.C14H21NO.C14H19NO.C12H15F3N2O.C12H16N2.C11H13F3O.C11H16O/c1-18(2,3)15-10-12-16(13-11-15)21-14-8-7-9-17(20)22-19(4,5)6;1-15(2,3)12-7-8-13-11(9-12)10-17-18(13)14(19)20-16(4,5)6;1-16(2,3)14-6-4-7-15(12-14)19-11-5-9-18-10-8-17-13-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)11-6-8-12(9-7-11)15-10-4-5-13(15)16;1-11(2,3)8-6-5-7-9(16-8)17(4)10(18)12(13,14)15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12/h10-13H,7-9,14H2,1-6H3;7-10H,1-6H3;4,6-8,10,12-13H,5,9,11H2,1-3H3;4,6-7,12H,5,8-11H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,4-5,10H2,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-7,12H,8H2,1-3H3.
What are the key properties of tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene?
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene has a molecular weight of 2368.18 g/mol, XLogP of 33.69, 20 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 160853119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).