3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C152H178F6N16O15 — CID 159539657

IUPAC3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(CO)C3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cn1.CN1CC(CO)Cc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc21.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)NCC(CO)C2
InChIInChI=1S/C23H28N2O3.C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H23F3N2O2.C21H25N3O2.C20H21F3N2O2/c1-23(2,3)18-8-4-15(5-9-18)6-11-21(27)24-19-10-7-16-12-17(14-26)22(28)25-20(16)13-19;1-23(2,3)19-7-4-17(5-8-19)6-11-22(27)24-20-9-10-21-18(16-20)12-13-25(21)14-15-26;1-22(2,3)20-8-4-16(15-23-20)5-9-21(27)24-18-6-7-19-17(14-18)10-11-25(19)12-13-26;1-22(2,3)17-7-4-15(5-8-17)6-11-21(26)24-18-9-10-20-16(12-18)13-19(14-25)23-20;1-26-12-15(13-27)10-16-5-8-18(11-19(16)26)25-20(28)9-4-14-2-6-17(7-3-14)21(22,23)24;1-21(2,3)19-8-4-14(12-22-19)5-9-20(26)24-16-6-7-18-15(10-16)11-17(13-25)23-18;21-20(22,23)16-5-1-13(2-6-16)3-8-19(27)25-17-7-4-15-9-14(12-26)11-24-18(15)10-17/h4-5,7-10,13,17,26H,6,11-12,14H2,1-3H3,(H,24,27)(H,25,28);4-5,7-10,12-13,16,26H,6,11,14-15H2,1-3H3,(H,24,27);4,6-8,10-11,14-15,26H,5,9,12-13H2,1-3H3,(H,24,27);4-5,7-10,12-13,23,25H,6,11,14H2,1-3H3,(H,24,26);2-3,5-8,11,15,27H,4,9-10,12-13H2,1H3,(H,25,28);4,6-8,10-12,23,25H,5,9,13H2,1-3H3,(H,24,26);1-2,4-7,10,14,24,26H,3,8-9,11-12H2,(H,25,27)
InChIKeyMEAPYFPRHUWWDF-UHFFFAOYSA-N
MW2583.18 g/mol
LogP28.24
Rot. Bonds37

About 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 159539657) has the molecular formula C152H178F6N16O15 and a molecular weight of 2583.18 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID159539657
Molecular FormulaC152H178F6N16O15
Molecular Weight2583.18 g/mol
Exact Mass2581.36
IUPAC Name3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(CO)C3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cn1.CN1CC(CO)Cc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc21.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)NCC(CO)C2
InChIInChI=1S/C23H28N2O3.C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H23F3N2O2.C21H25N3O2.C20H21F3N2O2/c1-23(2,3)18-8-4-15(5-9-18)6-11-21(27)24-19-10-7-16-12-17(14-26)22(28)25-20(16)13-19;1-23(2,3)19-7-4-17(5-8-19)6-11-22(27)24-20-9-10-21-18(16-20)12-13-25(21)14-15-26;1-22(2,3)20-8-4-16(15-23-20)5-9-21(27)24-18-6-7-19-17(14-18)10-11-25(19)12-13-26;1-22(2,3)17-7-4-15(5-8-17)6-11-21(26)24-18-9-10-20-16(12-18)13-19(14-25)23-20;1-26-12-15(13-27)10-16-5-8-18(11-19(16)26)25-20(28)9-4-14-2-6-17(7-3-14)21(22,23)24;1-21(2,3)19-8-4-14(12-22-19)5-9-20(26)24-16-6-7-18-15(10-16)11-17(13-25)23-18;21-20(22,23)16-5-1-13(2-6-16)3-8-19(27)25-17-7-4-15-9-14(12-26)11-24-18(15)10-17/h4-5,7-10,13,17,26H,6,11-12,14H2,1-3H3,(H,24,27)(H,25,28);4-5,7-10,12-13,16,26H,6,11,14-15H2,1-3H3,(H,24,27);4,6-8,10-11,14-15,26H,5,9,12-13H2,1-3H3,(H,24,27);4-5,7-10,12-13,23,25H,6,11,14H2,1-3H3,(H,24,26);2-3,5-8,11,15,27H,4,9-10,12-13H2,1H3,(H,25,28);4,6-8,10-12,23,25H,5,9,13H2,1-3H3,(H,24,26);1-2,4-7,10,14,24,26H,3,8-9,11-12H2,(H,25,27)
InChIKeyMEAPYFPRHUWWDF-UHFFFAOYSA-N
XLogP28.24
TPSA456.90 Ų
H-Bond Donors18
H-Bond Acceptors21
Rotatable Bonds37
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002583.18
LogP ≤ 528.24
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1021

Analyze 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide with MolForge

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Related Compounds

3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 160974888
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one
CID 161139836
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-6-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide
CID 157835610
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide
CID 159309157
(4aS,5aR,8aR,13aS,15aS,15bR)-10,11-dimethyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;(4aS,5aR,8aR,13aS,15aR,15bS)-10,11-dimethyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;[(1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;tetrakis((R)-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol);bis((S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol);(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 160335029
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide
CID 160757385
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide
CID 162007291
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 162144209

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 159539657) is 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(CO)C3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cn1.CN1CC(CO)Cc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc21.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)NCC(CO)C2.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MEAPYFPRHUWWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3.C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H23F3N2O2.C21H25N3O2.C20H21F3N2O2/c1-23(2,3)18-8-4-15(5-9-18)6-11-21(27)24-19-10-7-16-12-17(14-26)22(28)25-20(16)13-19;1-23(2,3)19-7-4-17(5-8-19)6-11-22(27)24-20-9-10-21-18(16-20)12-13-25(21)14-15-26;1-22(2,3)20-8-4-16(15-23-20)5-9-21(27)24-18-6-7-19-17(14-18)10-11-25(19)12-13-26;1-22(2,3)17-7-4-15(5-8-17)6-11-21(26)24-18-9-10-20-16(12-18)13-19(14-25)23-20;1-26-12-15(13-27)10-16-5-8-18(11-19(16)26)25-20(28)9-4-14-2-6-17(7-3-14)21(22,23)24;1-21(2,3)19-8-4-14(12-22-19)5-9-20(26)24-16-6-7-18-15(10-16)11-17(13-25)23-18;21-20(22,23)16-5-1-13(2-6-16)3-8-19(27)25-17-7-4-15-9-14(12-26)11-24-18(15)10-17/h4-5,7-10,13,17,26H,6,11-12,14H2,1-3H3,(H,24,27)(H,25,28);4-5,7-10,12-13,16,26H,6,11,14-15H2,1-3H3,(H,24,27);4,6-8,10-11,14-15,26H,5,9,12-13H2,1-3H3,(H,24,27);4-5,7-10,12-13,23,25H,6,11,14H2,1-3H3,(H,24,26);2-3,5-8,11,15,27H,4,9-10,12-13H2,1H3,(H,25,28);4,6-8,10-12,23,25H,5,9,13H2,1-3H3,(H,24,26);1-2,4-7,10,14,24,26H,3,8-9,11-12H2,(H,25,27).
What are the key properties of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 2583.18 g/mol, XLogP of 28.24, 37 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 159539657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).