2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one

C323H394N30O25S2 — CID 157296865

IUPAC2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one
SMILESCC(C)(C(=O)NC[C@@H]1CCCO1)c1ccc(-c2cncc(C#N)c2)cc1.CC(C)(C(=O)N[C@@H](O)c1ccccc1)c1ccc(-c2cncc(C#N)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2cccc(C=O)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)CCC(=O)Cc1ccc(-c2ccccc2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cccc3[nH]ccc23)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2ccncn2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cnc3ccccn23)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cnco2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cscn2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-n2ccnc2)cc1.CCCNC(=O)C(C)(C)c1ccc(-c2cncc(COC)c2)cc1.COCc1cccc(-c2ccc(C(C)(C)C(=O)NCC(C)C)cn2)c1.COCc1cccc(-c2ccc(C(C)(C)C(=O)NCC(C)C)nc2)c1.[C-]#[N+]c1cncc(-c2ccc(C(C)(C)C(=O)CC(CC)CC)cc2)n1
InChIInChI=1S/C23H21N3O2.C22H26N2O.C22H28O3S.C22H26O2.C21H23N3O2.2C21H25N3O.2C21H28N2O2.C21H26O.C20H26N2O2.C19H22O.C18H23N3O.C17H23N3O.C17H22N2O2.C17H22N2OS/c1-23(2,22(28)26-21(27)18-6-4-3-5-7-18)20-10-8-17(9-11-20)19-12-16(13-24)14-25-15-19;1-15(2)14-24-21(25)22(3,4)17-10-8-16(9-11-17)18-6-5-7-20-19(18)12-13-23-20;1-16(2)9-14-21(23)22(3,4)19-12-10-17(11-13-19)18-7-6-8-20(15-18)26(5,24)25;1-16(2)8-13-21(24)22(3,4)20-11-9-18(10-12-20)19-7-5-6-17(14-19)15-23;1-21(2,20(25)24-14-19-4-3-9-26-19)18-7-5-16(6-8-18)17-10-15(11-22)12-23-13-17;1-15(2)13-23-20(25)21(3,4)17-10-8-16(9-11-17)18-14-22-19-7-5-6-12-24(18)19;1-6-15(7-2)12-19(25)21(3,4)17-10-8-16(9-11-17)18-13-23-14-20(22-5)24-18;1-15(2)12-23-20(24)21(3,4)18-9-10-19(22-13-18)17-8-6-7-16(11-17)14-25-5;1-15(2)12-23-20(24)21(3,4)19-10-9-18(13-22-19)17-8-6-7-16(11-17)14-25-5;1-16(2)10-15-20(22)21(3,4)19-13-11-18(12-14-19)17-8-6-5-7-9-17;1-5-10-22-19(23)20(2,3)18-8-6-16(7-9-18)17-11-15(14-24-4)12-21-13-17;1-15(2)8-13-19(20)14-16-9-11-18(12-10-16)17-6-4-3-5-7-17;1-13(2)11-20-17(22)18(3,4)15-7-5-14(6-8-15)16-9-10-19-12-21-16;1-13(2)11-19-16(21)17(3,4)14-5-7-15(8-6-14)20-10-9-18-12-20;1-12(2)9-19-16(20)17(3,4)14-7-5-13(6-8-14)15-10-18-11-21-15;1-12(2)9-18-16(20)17(3,4)14-7-5-13(6-8-14)15-10-21-11-19-15/h3-12,14-15,21,27H,1-2H3,(H,26,28);5-13,15,23H,14H2,1-4H3,(H,24,25);6-8,10-13,15-16H,9,14H2,1-5H3;5-7,9-12,14-16H,8,13H2,1-4H3;5-8,10,12-13,19H,3-4,9,14H2,1-2H3,(H,24,25);5-12,14-15H,13H2,1-4H3,(H,23,25);8-11,13-15H,6-7,12H2,1-4H3;2*6-11,13,15H,12,14H2,1-5H3,(H,23,24);5-9,11-14,16H,10,15H2,1-4H3;6-9,11-13H,5,10,14H2,1-4H3,(H,22,23);3-7,9-12,15H,8,13-14H2,1-2H3;5-10,12-13H,11H2,1-4H3,(H,20,22);5-10,12-13H,11H2,1-4H3,(H,19,21);5-8,10-12H,9H2,1-4H3,(H,19,20);5-8,10-12H,9H2,1-4H3,(H,18,20)/t21-;;;;19-;;;;;;;;;;;/m0...0.........../s1
InChIKeyBBLGNYUKWLOVSC-BMVJSBIYSA-N
MW5161.02 g/mol
LogP67.18
Rot. Bonds94

About 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one

2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one (PubChem CID 157296865) has the molecular formula C323H394N30O25S2 and a molecular weight of 5161.02 g/mol. Its IUPAC name is 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one.

Molecular Properties

Compound Name2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one
PubChem CID157296865
Molecular FormulaC323H394N30O25S2
Molecular Weight5161.02 g/mol
Exact Mass5156.99
IUPAC Name2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one
SMILESCC(C)(C(=O)NC[C@@H]1CCCO1)c1ccc(-c2cncc(C#N)c2)cc1.CC(C)(C(=O)N[C@@H](O)c1ccccc1)c1ccc(-c2cncc(C#N)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2cccc(C=O)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)CCC(=O)Cc1ccc(-c2ccccc2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cccc3[nH]ccc23)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2ccncn2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cnc3ccccn23)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cnco2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cscn2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-n2ccnc2)cc1.CCCNC(=O)C(C)(C)c1ccc(-c2cncc(COC)c2)cc1.COCc1cccc(-c2ccc(C(C)(C)C(=O)NCC(C)C)cn2)c1.COCc1cccc(-c2ccc(C(C)(C)C(=O)NCC(C)C)nc2)c1.[C-]#[N+]c1cncc(-c2ccc(C(C)(C)C(=O)CC(CC)CC)cc2)n1
InChIInChI=1S/C23H21N3O2.C22H26N2O.C22H28O3S.C22H26O2.C21H23N3O2.2C21H25N3O.2C21H28N2O2.C21H26O.C20H26N2O2.C19H22O.C18H23N3O.C17H23N3O.C17H22N2O2.C17H22N2OS/c1-23(2,22(28)26-21(27)18-6-4-3-5-7-18)20-10-8-17(9-11-20)19-12-16(13-24)14-25-15-19;1-15(2)14-24-21(25)22(3,4)17-10-8-16(9-11-17)18-6-5-7-20-19(18)12-13-23-20;1-16(2)9-14-21(23)22(3,4)19-12-10-17(11-13-19)18-7-6-8-20(15-18)26(5,24)25;1-16(2)8-13-21(24)22(3,4)20-11-9-18(10-12-20)19-7-5-6-17(14-19)15-23;1-21(2,20(25)24-14-19-4-3-9-26-19)18-7-5-16(6-8-18)17-10-15(11-22)12-23-13-17;1-15(2)13-23-20(25)21(3,4)17-10-8-16(9-11-17)18-14-22-19-7-5-6-12-24(18)19;1-6-15(7-2)12-19(25)21(3,4)17-10-8-16(9-11-17)18-13-23-14-20(22-5)24-18;1-15(2)12-23-20(24)21(3,4)18-9-10-19(22-13-18)17-8-6-7-16(11-17)14-25-5;1-15(2)12-23-20(24)21(3,4)19-10-9-18(13-22-19)17-8-6-7-16(11-17)14-25-5;1-16(2)10-15-20(22)21(3,4)19-13-11-18(12-14-19)17-8-6-5-7-9-17;1-5-10-22-19(23)20(2,3)18-8-6-16(7-9-18)17-11-15(14-24-4)12-21-13-17;1-15(2)8-13-19(20)14-16-9-11-18(12-10-16)17-6-4-3-5-7-17;1-13(2)11-20-17(22)18(3,4)15-7-5-14(6-8-15)16-9-10-19-12-21-16;1-13(2)11-19-16(21)17(3,4)14-5-7-15(8-6-14)20-10-9-18-12-20;1-12(2)9-19-16(20)17(3,4)14-7-5-13(6-8-14)15-10-18-11-21-15;1-12(2)9-18-16(20)17(3,4)14-7-5-13(6-8-14)15-10-21-11-19-15/h3-12,14-15,21,27H,1-2H3,(H,26,28);5-13,15,23H,14H2,1-4H3,(H,24,25);6-8,10-13,15-16H,9,14H2,1-5H3;5-7,9-12,14-16H,8,13H2,1-4H3;5-8,10,12-13,19H,3-4,9,14H2,1-2H3,(H,24,25);5-12,14-15H,13H2,1-4H3,(H,23,25);8-11,13-15H,6-7,12H2,1-4H3;2*6-11,13,15H,12,14H2,1-5H3,(H,23,24);5-9,11-14,16H,10,15H2,1-4H3;6-9,11-13H,5,10,14H2,1-4H3,(H,22,23);3-7,9-12,15H,8,13-14H2,1-2H3;5-10,12-13H,11H2,1-4H3,(H,20,22);5-10,12-13H,11H2,1-4H3,(H,19,21);5-8,10-12H,9H2,1-4H3,(H,19,20);5-8,10-12H,9H2,1-4H3,(H,18,20)/t21-;;;;19-;;;;;;;;;;;/m0...0.........../s1
InChIKeyBBLGNYUKWLOVSC-BMVJSBIYSA-N
XLogP67.18
TPSA771.59 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds94
Heavy Atoms380
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005161.02
LogP ≤ 567.18
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Analyze 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one with MolForge

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What is the IUPAC name of 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one?
The IUPAC name of 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one (CID 157296865) is 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one.
What is the SMILES notation for 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one?
The canonical SMILES for 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one is CC(C)(C(=O)NC[C@@H]1CCCO1)c1ccc(-c2cncc(C#N)c2)cc1.CC(C)(C(=O)N[C@@H](O)c1ccccc1)c1ccc(-c2cncc(C#N)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2cccc(C=O)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CC(C)CCC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)CCC(=O)Cc1ccc(-c2ccccc2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cccc3[nH]ccc23)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2ccncn2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cnc3ccccn23)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cnco2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-c2cscn2)cc1.CC(C)CNC(=O)C(C)(C)c1ccc(-n2ccnc2)cc1.CCCNC(=O)C(C)(C)c1ccc(-c2cncc(COC)c2)cc1.COCc1cccc(-c2ccc(C(C)(C)C(=O)NCC(C)C)cn2)c1.COCc1cccc(-c2ccc(C(C)(C)C(=O)NCC(C)C)nc2)c1.[C-]#[N+]c1cncc(-c2ccc(C(C)(C)C(=O)CC(CC)CC)cc2)n1.
What is the InChIKey of 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one?
The InChIKey is BBLGNYUKWLOVSC-BMVJSBIYSA-N. The full InChI is InChI=1S/C23H21N3O2.C22H26N2O.C22H28O3S.C22H26O2.C21H23N3O2.2C21H25N3O.2C21H28N2O2.C21H26O.C20H26N2O2.C19H22O.C18H23N3O.C17H23N3O.C17H22N2O2.C17H22N2OS/c1-23(2,22(28)26-21(27)18-6-4-3-5-7-18)20-10-8-17(9-11-20)19-12-16(13-24)14-25-15-19;1-15(2)14-24-21(25)22(3,4)17-10-8-16(9-11-17)18-6-5-7-20-19(18)12-13-23-20;1-16(2)9-14-21(23)22(3,4)19-12-10-17(11-13-19)18-7-6-8-20(15-18)26(5,24)25;1-16(2)8-13-21(24)22(3,4)20-11-9-18(10-12-20)19-7-5-6-17(14-19)15-23;1-21(2,20(25)24-14-19-4-3-9-26-19)18-7-5-16(6-8-18)17-10-15(11-22)12-23-13-17;1-15(2)13-23-20(25)21(3,4)17-10-8-16(9-11-17)18-14-22-19-7-5-6-12-24(18)19;1-6-15(7-2)12-19(25)21(3,4)17-10-8-16(9-11-17)18-13-23-14-20(22-5)24-18;1-15(2)12-23-20(24)21(3,4)18-9-10-19(22-13-18)17-8-6-7-16(11-17)14-25-5;1-15(2)12-23-20(24)21(3,4)19-10-9-18(13-22-19)17-8-6-7-16(11-17)14-25-5;1-16(2)10-15-20(22)21(3,4)19-13-11-18(12-14-19)17-8-6-5-7-9-17;1-5-10-22-19(23)20(2,3)18-8-6-16(7-9-18)17-11-15(14-24-4)12-21-13-17;1-15(2)8-13-19(20)14-16-9-11-18(12-10-16)17-6-4-3-5-7-17;1-13(2)11-20-17(22)18(3,4)15-7-5-14(6-8-15)16-9-10-19-12-21-16;1-13(2)11-19-16(21)17(3,4)14-5-7-15(8-6-14)20-10-9-18-12-20;1-12(2)9-19-16(20)17(3,4)14-7-5-13(6-8-14)15-10-18-11-21-15;1-12(2)9-18-16(20)17(3,4)14-7-5-13(6-8-14)15-10-21-11-19-15/h3-12,14-15,21,27H,1-2H3,(H,26,28);5-13,15,23H,14H2,1-4H3,(H,24,25);6-8,10-13,15-16H,9,14H2,1-5H3;5-7,9-12,14-16H,8,13H2,1-4H3;5-8,10,12-13,19H,3-4,9,14H2,1-2H3,(H,24,25);5-12,14-15H,13H2,1-4H3,(H,23,25);8-11,13-15H,6-7,12H2,1-4H3;2*6-11,13,15H,12,14H2,1-5H3,(H,23,24);5-9,11-14,16H,10,15H2,1-4H3;6-9,11-13H,5,10,14H2,1-4H3,(H,22,23);3-7,9-12,15H,8,13-14H2,1-2H3;5-10,12-13H,11H2,1-4H3,(H,20,22);5-10,12-13H,11H2,1-4H3,(H,19,21);5-8,10-12H,9H2,1-4H3,(H,19,20);5-8,10-12H,9H2,1-4H3,(H,18,20)/t21-;;;;19-;;;;;;;;;;;/m0...0.........../s1.
What are the key properties of 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one?
2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one has a molecular weight of 5161.02 g/mol, XLogP of 67.18, 94 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-3-pyridinyl)phenyl]-N-[(S)-hydroxy(phenyl)methyl]-2-methylpropanamide;2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2,6-dimethyl-2-[4-(3-methylsulfonylphenyl)phenyl]heptan-3-one;3-[4-(2,6-dimethyl-3-oxoheptan-2-yl)phenyl]benzaldehyde;2,6-dimethyl-2-(4-phenylphenyl)heptan-3-one;5-ethyl-2-[4-(6-isocyanopyrazin-2-yl)phenyl]-2-methylheptan-3-one;2-(4-imidazo[1,2-a]pyridin-3-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-(4-imidazol-1-ylphenyl)-2-methyl-N-(2-methylpropyl)propanamide;2-[4-(1H-indol-4-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[5-[3-(methoxymethyl)phenyl]-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[6-[3-(methoxymethyl)phenyl]-3-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide;2-[4-[5-(methoxymethyl)-3-pyridinyl]phenyl]-2-methyl-N-propylpropanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(2-methylpropyl)-2-(4-pyrimidin-4-ylphenyl)propanamide;2-methyl-N-(2-methylpropyl)-2-[4-(1,3-thiazol-4-yl)phenyl]propanamide;5-methyl-1-(4-phenylphenyl)hexan-2-one is sourced from PubChem (CID 157296865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).