tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol

C255H440FN31O18 — CID 160914228

IUPACtert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol
SMILESC#CCN1CCN(C(C)(C)C)CC1.CC(=O)COc1ccc(C(C)(C)C)cc1.CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1C=NOCC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C(=O)C(O)CO)CC1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2cncn2c1.CCC(=O)N1CC=C(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)C=N1.CCCOc1ccc(C(C)(C)C)cc1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO.C14H23N.C13H18O2.C13H20O.C12H21NO.C12H18O.C11H22N2O.C11H20N2.C11H16O.C10H13F.C10H20N2O3.C10H12N2.C10H14O.C10H14.C9H17N3O.C9H18N2O.2C8H18N2.3C8H17NO.C8H17N.C8H13N.2C7H12N2.C6H12N2O/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)11-3-5-12(6-4-11)10(15)9(14)7-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-4-9(13)12-6-5-11(7-10-12)8(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6(2)8-3-4-9-7-5-8/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;5-8H,9H2,1-4H3;6-9H,5,10H2,1-4H3;6H,5,7-9H2,1-4H3;6-9H,5H2,1-4H3;5-9H2,1-4H3;1H,6-10H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3;8-9,13-14H,3-7H2,1-2H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-8,10H,3-6H2,1-2H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;5-6H,3-4H2,1-2H3
InChIKeySREOQTXYVRNLGL-UHFFFAOYSA-N
MW4247.52 g/mol
LogP48.81
Rot. Bonds28

About tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol

tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol (PubChem CID 160914228) has the molecular formula C255H440FN31O18 and a molecular weight of 4247.52 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol
PubChem CID160914228
Molecular FormulaC255H440FN31O18
Molecular Weight4247.52 g/mol
Exact Mass4244.45
IUPAC Nametert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol
SMILESC#CCN1CCN(C(C)(C)C)CC1.CC(=O)COc1ccc(C(C)(C)C)cc1.CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1C=NOCC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C(=O)C(O)CO)CC1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2cncn2c1.CCC(=O)N1CC=C(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)C=N1.CCCOc1ccc(C(C)(C)C)cc1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO.C14H23N.C13H18O2.C13H20O.C12H21NO.C12H18O.C11H22N2O.C11H20N2.C11H16O.C10H13F.C10H20N2O3.C10H12N2.C10H14O.C10H14.C9H17N3O.C9H18N2O.2C8H18N2.3C8H17NO.C8H17N.C8H13N.2C7H12N2.C6H12N2O/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)11-3-5-12(6-4-11)10(15)9(14)7-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-4-9(13)12-6-5-11(7-10-12)8(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6(2)8-3-4-9-7-5-8/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;5-8H,9H2,1-4H3;6-9H,5,10H2,1-4H3;6H,5,7-9H2,1-4H3;6-9H,5H2,1-4H3;5-9H2,1-4H3;1H,6-10H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3;8-9,13-14H,3-7H2,1-2H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-8,10H,3-6H2,1-2H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;5-6H,3-4H2,1-2H3
InChIKeySREOQTXYVRNLGL-UHFFFAOYSA-N
XLogP48.81
TPSA419.84 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds28
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004247.52
LogP ≤ 548.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Analyze tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol with MolForge

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Related Compounds

CID 158929776
CID 158929776
(2R,3R)-4-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[2-(methylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 159275224
(2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 159541167
CID 160077718
CID 160077718
(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 161488740
(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 161754536
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 157460150
(3S,4S,5S)-4-amino-5-methyl-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;6-fluoro-3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2S,3S,4S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylpyrrolidine-3,4-diol;6-fluoro-5-propan-2-yloxy-3-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;(4S)-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;1-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 158285266
CID 159073898
CID 159073898
4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 159290033
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine
CID 159607681
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine
CID 160584331

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol (CID 160914228) is tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol is C#CCN1CCN(C(C)(C)C)CC1.CC(=O)COc1ccc(C(C)(C)C)cc1.CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1C=NOCC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C(=O)C(O)CO)CC1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2cncn2c1.CCC(=O)N1CC=C(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)C=N1.CCCOc1ccc(C(C)(C)C)cc1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol?
The InChIKey is SREOQTXYVRNLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C14H23N.C13H18O2.C13H20O.C12H21NO.C12H18O.C11H22N2O.C11H20N2.C11H16O.C10H13F.C10H20N2O3.C10H12N2.C10H14O.C10H14.C9H17N3O.C9H18N2O.2C8H18N2.3C8H17NO.C8H17N.C8H13N.2C7H12N2.C6H12N2O/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)11-3-5-12(6-4-11)10(15)9(14)7-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-4-9(13)12-6-5-11(7-10-12)8(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6(2)8-3-4-9-7-5-8/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;5-8H,9H2,1-4H3;6-9H,5,10H2,1-4H3;6H,5,7-9H2,1-4H3;6-9H,5H2,1-4H3;5-9H2,1-4H3;1H,6-10H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3;8-9,13-14H,3-7H2,1-2H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-8,10H,3-6H2,1-2H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol?
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol has a molecular weight of 4247.52 g/mol, XLogP of 48.81, 28 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 160914228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).