4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone

C137H195F4N11O15 — CID 159156999

IUPAC4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N(CCO)C2CCCCC2)cc1.CC(C)(C)c1ccc(C(=O)N2CCCCC2CO)cc1.CC(C)(C)c1ccc(C(=O)N2CCC[C@H]2CO)cc1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1F.CN1CCC(n2cc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1.COC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.COC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H28N4O.C19H29NO2.3C17H25NO2.C16H20F3NO2.C16H23NO2.C15H20FNO2/c1-20(2,3)16-7-5-15(6-8-16)19(25)22-17-13-21-24(14-17)18-9-11-23(4)12-10-18;1-19(2,3)16-11-9-15(10-12-16)18(22)20(13-14-21)17-7-5-4-6-8-17;1-17(2,3)14-7-5-13(6-8-14)16(19)18-11-9-15(20-4)10-12-18;1-17(2,3)14-9-7-13(8-10-14)16(19)18-11-5-6-15(18)12-20-4;1-17(2,3)14-9-7-13(8-10-14)16(20)18-11-5-4-6-15(18)12-19;1-15(2,3)11-4-5-12(13(10-11)16(17,18)19)14(21)20-6-8-22-9-7-20;1-16(2,3)13-8-6-12(7-9-13)15(19)17-10-4-5-14(17)11-18;1-15(2,3)12-5-4-11(10-13(12)16)14(18)17-6-8-19-9-7-17/h5-8,13-14,18H,9-12H2,1-4H3,(H,22,25);9-12,17,21H,4-8,13-14H2,1-3H3;5-8,15H,9-12H2,1-4H3;7-10,15H,5-6,11-12H2,1-4H3;7-10,15,19H,4-6,11-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;6-9,14,18H,4-5,10-11H2,1-3H3;4-5,10H,6-9H2,1-3H3/t;;;15-;;;14-;/m...0..0./s1
InChIKeyKKAARUQEASGQTK-DOBMCWHYSA-N
MW2312.12 g/mol
LogP25.54
Rot. Bonds18

About 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone

4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 159156999) has the molecular formula C137H195F4N11O15 and a molecular weight of 2312.12 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
PubChem CID159156999
Molecular FormulaC137H195F4N11O15
Molecular Weight2312.12 g/mol
Exact Mass2310.48
IUPAC Name4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N(CCO)C2CCCCC2)cc1.CC(C)(C)c1ccc(C(=O)N2CCCCC2CO)cc1.CC(C)(C)c1ccc(C(=O)N2CCC[C@H]2CO)cc1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1F.CN1CCC(n2cc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1.COC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.COC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H28N4O.C19H29NO2.3C17H25NO2.C16H20F3NO2.C16H23NO2.C15H20FNO2/c1-20(2,3)16-7-5-15(6-8-16)19(25)22-17-13-21-24(14-17)18-9-11-23(4)12-10-18;1-19(2,3)16-11-9-15(10-12-16)18(22)20(13-14-21)17-7-5-4-6-8-17;1-17(2,3)14-7-5-13(6-8-14)16(19)18-11-9-15(20-4)10-12-18;1-17(2,3)14-9-7-13(8-10-14)16(19)18-11-5-6-15(18)12-20-4;1-17(2,3)14-9-7-13(8-10-14)16(20)18-11-5-4-6-15(18)12-19;1-15(2,3)11-4-5-12(13(10-11)16(17,18)19)14(21)20-6-8-22-9-7-20;1-16(2,3)13-8-6-12(7-9-13)15(19)17-10-4-5-14(17)11-18;1-15(2,3)12-5-4-11(10-13(12)16)14(18)17-6-8-19-9-7-17/h5-8,13-14,18H,9-12H2,1-4H3,(H,22,25);9-12,17,21H,4-8,13-14H2,1-3H3;5-8,15H,9-12H2,1-4H3;7-10,15H,5-6,11-12H2,1-4H3;7-10,15,19H,4-6,11-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;6-9,14,18H,4-5,10-11H2,1-3H3;4-5,10H,6-9H2,1-3H3/t;;;15-;;;14-;/m...0..0./s1
InChIKeyKKAARUQEASGQTK-DOBMCWHYSA-N
XLogP25.54
TPSA289.94 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002312.12
LogP ≤ 525.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide
CID 158272240
3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 158444334
3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 159536225
3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-isocyanophenyl)benzamide;3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(4-fluoro-3-isocyanophenyl)benzamide;3-[1,1-difluoro-2-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 159977896
4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 160318633
8-(4-Tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 160503246
3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 162112662
3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;bis(3-[1,1-difluoro-2-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide);3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 163955946
3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;bis(3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide);3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 164120819
N-[1-(azepan-4-yl)pyrazol-4-yl]-4-tert-butylbenzamide;4-tert-butyl-N-(2-hydroxybutyl)benzamide;4-tert-butyl-N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 158078391
3-[1-[5-[[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
CID 159773278
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-3,4-dihydroisoquinolin-1-one;1-(oxan-4-yl)pyrazol-4-amine
CID 160624631

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone (CID 159156999) is 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone is CC(C)(C)c1ccc(C(=O)N(CCO)C2CCCCC2)cc1.CC(C)(C)c1ccc(C(=O)N2CCCCC2CO)cc1.CC(C)(C)c1ccc(C(=O)N2CCC[C@H]2CO)cc1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1F.CN1CCC(n2cc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1.COC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.COC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is KKAARUQEASGQTK-DOBMCWHYSA-N. The full InChI is InChI=1S/C20H28N4O.C19H29NO2.3C17H25NO2.C16H20F3NO2.C16H23NO2.C15H20FNO2/c1-20(2,3)16-7-5-15(6-8-16)19(25)22-17-13-21-24(14-17)18-9-11-23(4)12-10-18;1-19(2,3)16-11-9-15(10-12-16)18(22)20(13-14-21)17-7-5-4-6-8-17;1-17(2,3)14-7-5-13(6-8-14)16(19)18-11-9-15(20-4)10-12-18;1-17(2,3)14-9-7-13(8-10-14)16(19)18-11-5-6-15(18)12-20-4;1-17(2,3)14-9-7-13(8-10-14)16(20)18-11-5-4-6-15(18)12-19;1-15(2,3)11-4-5-12(13(10-11)16(17,18)19)14(21)20-6-8-22-9-7-20;1-16(2,3)13-8-6-12(7-9-13)15(19)17-10-4-5-14(17)11-18;1-15(2,3)12-5-4-11(10-13(12)16)14(18)17-6-8-19-9-7-17/h5-8,13-14,18H,9-12H2,1-4H3,(H,22,25);9-12,17,21H,4-8,13-14H2,1-3H3;5-8,15H,9-12H2,1-4H3;7-10,15H,5-6,11-12H2,1-4H3;7-10,15,19H,4-6,11-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;6-9,14,18H,4-5,10-11H2,1-3H3;4-5,10H,6-9H2,1-3H3/t;;;15-;;;14-;/m...0..0./s1.
What are the key properties of 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 2312.12 g/mol, XLogP of 25.54, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-cyclohexyl-N-(2-hydroxyethyl)benzamide;(4-tert-butyl-3-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzamide;(4-tert-butylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(4-tert-butylphenyl)-(4-methoxypiperidin-1-yl)methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 159156999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).