1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene

C222H327F7N22O10S — CID 165019992

IUPAC1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC=C1NCc2c1cccc2C(C)C.C=C1c2cccc(C(C)C)c2CN1C.CC(=O)Cn1nc(C)c(C(C)C)c1C.CC(C)C1=CC(=O)N(C)CC1.CC(C)[C@@H](C)NC(=O)NC(C)(C)C(C)(F)F.CC(C)[C@@H](C)NC(=O)NC1(C)CC(F)(F)C1.CC(C)[C@@H](C)NC(=O)NC1CC2(CC2)C1.CC(C)[C@@H](C)NC(=O)NC1CCCCC1.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1ccccc1-c1cncs1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cccnc1-c1ccccc1.CC(C)c1ccnc2c1CC(=O)C2.CC1=CCC(C)=C1C(C)C.CCc1ccc(C(C)C)c(C)n1.Cc1[nH]c(=O)ccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1cncc(C(C)C)c1C.Cc1ncccc1C(C)C
InChIInChI=1S/C14H15N.C13H19NO.C13H17N.C12H22N2O.C12H24N2O.C12H13NS.C12H15N.C12H14O.C11H20F2N2O.C11H22F2N2O.C11H18N2O.C11H13NO.C11H17N.C10H11F3.2C10H15N.C10H16.C9H15NO.C9H13NO.C9H13N/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-9(2)11-6-5-7-12-10(3)14(4)8-13(11)12;1-8(2)9(3)13-11(15)14-10-6-12(7-10)4-5-12;1-9(2)10(3)13-12(15)14-11-7-5-4-6-8-11;1-9(2)10-5-3-4-6-11(10)12-7-13-8-14-12;1-8(2)10-5-4-6-11-9(3)13-7-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)8(3)14-9(16)15-10(4)5-11(12,13)6-10;1-7(2)8(3)14-9(16)15-10(4,5)11(6,12)13;1-7(2)11-9(4)12-13(10(11)5)6-8(3)14;1-7(2)9-3-4-12-11-6-8(13)5-10(9)11;1-5-10-6-7-11(8(2)3)9(4)12-10;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-11-5-8(3)9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)10-8(3)5-6-9(10)4;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-5-9(11)10-7(8)3;1-7(2)9-5-4-6-10-8(9)3/h3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,9H,3,8H2,1-2,4H3;8-10H,4-7H2,1-3H3,(H2,13,14,15);9-11H,4-8H2,1-3H3,(H2,13,14,15);3-9H,1-2H3;4-6,8,13H,3,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;7-8H,5-6H2,1-4H3,(H2,14,15,16);7-8H,1-6H3,(H2,14,15,16);7H,6H2,1-5H3;3-4,7H,5-6H2,1-2H3;6-8H,5H2,1-4H3;3-7H,1-2H3;2*5-7H,1-4H3;5,7H,6H2,1-4H3;6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;;;9-;10-;;;;2*8-;;;;;;;;;;/m...11...11........../s1
InChIKeyLABZVBOFMHKRMV-QFYUGQSYSA-N
MW3629.25 g/mol
LogP54.95
Rot. Bonds35

About 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene

1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 165019992) has the molecular formula C222H327F7N22O10S and a molecular weight of 3629.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID165019992
Molecular FormulaC222H327F7N22O10S
Molecular Weight3629.25 g/mol
Exact Mass3626.54
IUPAC Name1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC=C1NCc2c1cccc2C(C)C.C=C1c2cccc(C(C)C)c2CN1C.CC(=O)Cn1nc(C)c(C(C)C)c1C.CC(C)C1=CC(=O)N(C)CC1.CC(C)[C@@H](C)NC(=O)NC(C)(C)C(C)(F)F.CC(C)[C@@H](C)NC(=O)NC1(C)CC(F)(F)C1.CC(C)[C@@H](C)NC(=O)NC1CC2(CC2)C1.CC(C)[C@@H](C)NC(=O)NC1CCCCC1.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1ccccc1-c1cncs1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cccnc1-c1ccccc1.CC(C)c1ccnc2c1CC(=O)C2.CC1=CCC(C)=C1C(C)C.CCc1ccc(C(C)C)c(C)n1.Cc1[nH]c(=O)ccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1cncc(C(C)C)c1C.Cc1ncccc1C(C)C
InChIInChI=1S/C14H15N.C13H19NO.C13H17N.C12H22N2O.C12H24N2O.C12H13NS.C12H15N.C12H14O.C11H20F2N2O.C11H22F2N2O.C11H18N2O.C11H13NO.C11H17N.C10H11F3.2C10H15N.C10H16.C9H15NO.C9H13NO.C9H13N/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-9(2)11-6-5-7-12-10(3)14(4)8-13(11)12;1-8(2)9(3)13-11(15)14-10-6-12(7-10)4-5-12;1-9(2)10(3)13-12(15)14-11-7-5-4-6-8-11;1-9(2)10-5-3-4-6-11(10)12-7-13-8-14-12;1-8(2)10-5-4-6-11-9(3)13-7-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)8(3)14-9(16)15-10(4)5-11(12,13)6-10;1-7(2)8(3)14-9(16)15-10(4,5)11(6,12)13;1-7(2)11-9(4)12-13(10(11)5)6-8(3)14;1-7(2)9-3-4-12-11-6-8(13)5-10(9)11;1-5-10-6-7-11(8(2)3)9(4)12-10;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-11-5-8(3)9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)10-8(3)5-6-9(10)4;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-5-9(11)10-7(8)3;1-7(2)9-5-4-6-10-8(9)3/h3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,9H,3,8H2,1-2,4H3;8-10H,4-7H2,1-3H3,(H2,13,14,15);9-11H,4-8H2,1-3H3,(H2,13,14,15);3-9H,1-2H3;4-6,8,13H,3,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;7-8H,5-6H2,1-4H3,(H2,14,15,16);7-8H,1-6H3,(H2,14,15,16);7H,6H2,1-5H3;3-4,7H,5-6H2,1-2H3;6-8H,5H2,1-4H3;3-7H,1-2H3;2*5-7H,1-4H3;5,7H,6H2,1-4H3;6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;;;9-;10-;;;;2*8-;;;;;;;;;;/m...11...11........../s1
InChIKeyLABZVBOFMHKRMV-QFYUGQSYSA-N
XLogP54.95
TPSA404.69 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003629.25
LogP ≤ 554.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 158905619
1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine
CID 165019027
1-(3,3-dimethylbut-1-en-2-yl)-3-propan-2-ylpiperidine;2,2-dimethyl-1-(2-propan-2-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;bis(2,6-dimethyl-3-propan-2-ylpyridine);3,4-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;(2-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;2-propan-2-yl-1-prop-1-en-2-ylpiperidine;3-propan-2-yl-1-(1-pyrrolidin-1-ylethenyl)piperidine;bis(1-propan-2-yl-2-(trifluoromethyl)benzene)
CID 165085092

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene (CID 165019992) is 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene is C=C1NCc2c1cccc2C(C)C.C=C1c2cccc(C(C)C)c2CN1C.CC(=O)Cn1nc(C)c(C(C)C)c1C.CC(C)C1=CC(=O)N(C)CC1.CC(C)[C@@H](C)NC(=O)NC(C)(C)C(C)(F)F.CC(C)[C@@H](C)NC(=O)NC1(C)CC(F)(F)C1.CC(C)[C@@H](C)NC(=O)NC1CC2(CC2)C1.CC(C)[C@@H](C)NC(=O)NC1CCCCC1.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1ccccc1-c1cncs1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cccnc1-c1ccccc1.CC(C)c1ccnc2c1CC(=O)C2.CC1=CCC(C)=C1C(C)C.CCc1ccc(C(C)C)c(C)n1.Cc1[nH]c(=O)ccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1cncc(C(C)C)c1C.Cc1ncccc1C(C)C.
What is the InChIKey of 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is LABZVBOFMHKRMV-QFYUGQSYSA-N. The full InChI is InChI=1S/C14H15N.C13H19NO.C13H17N.C12H22N2O.C12H24N2O.C12H13NS.C12H15N.C12H14O.C11H20F2N2O.C11H22F2N2O.C11H18N2O.C11H13NO.C11H17N.C10H11F3.2C10H15N.C10H16.C9H15NO.C9H13NO.C9H13N/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-9(2)11-6-5-7-12-10(3)14(4)8-13(11)12;1-8(2)9(3)13-11(15)14-10-6-12(7-10)4-5-12;1-9(2)10(3)13-12(15)14-11-7-5-4-6-8-11;1-9(2)10-5-3-4-6-11(10)12-7-13-8-14-12;1-8(2)10-5-4-6-11-9(3)13-7-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)8(3)14-9(16)15-10(4)5-11(12,13)6-10;1-7(2)8(3)14-9(16)15-10(4,5)11(6,12)13;1-7(2)11-9(4)12-13(10(11)5)6-8(3)14;1-7(2)9-3-4-12-11-6-8(13)5-10(9)11;1-5-10-6-7-11(8(2)3)9(4)12-10;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)10-6-11-5-8(3)9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)10-8(3)5-6-9(10)4;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-5-9(11)10-7(8)3;1-7(2)9-5-4-6-10-8(9)3/h3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,9H,3,8H2,1-2,4H3;8-10H,4-7H2,1-3H3,(H2,13,14,15);9-11H,4-8H2,1-3H3,(H2,13,14,15);3-9H,1-2H3;4-6,8,13H,3,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;7-8H,5-6H2,1-4H3,(H2,14,15,16);7-8H,1-6H3,(H2,14,15,16);7H,6H2,1-5H3;3-4,7H,5-6H2,1-2H3;6-8H,5H2,1-4H3;3-7H,1-2H3;2*5-7H,1-4H3;5,7H,6H2,1-4H3;6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;;;9-;10-;;;;2*8-;;;;;;;;;;/m...11...11........../s1.
What are the key properties of 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene?
1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 3629.25 g/mol, XLogP of 54.95, 35 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-2-methylbutan-2-yl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;1-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)propan-2-one;2,6-dimethyl-3-propan-2-ylpyridine;3,4-dimethyl-5-propan-2-ylpyridine;6-ethyl-2-methyl-3-propan-2-ylpyridine;1-[(2R)-3-methylbutan-2-yl]-3-spiro[2.3]hexan-5-ylurea;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;2-methyl-3-methylidene-7-propan-2-yl-1H-isoindole;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-3-propan-2-ylpyridine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;5-(2-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 165019992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).