(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide

C143H191Cl3F8N20O13 — CID 167668753

IUPAC(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide
SMILESCC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc(O)c(Cl)c1)N(C)C)c1cccnc1.CC(C)[C@H](CC(=O)NC[C@H](Cc1ccc(O)c(Cl)c1)N(C)C)c1cccnc1.COc1ccc(C(CC(=O)NC[C@H](Cc2ccc(O)cc2C)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)N(C)C
InChIInChI=1S/C26H35F2N3O3.C25H33F2N3O2.C24H31ClF2N4O2.C24H32F2N4O2.2C22H30ClN3O2/c1-17-12-21(32)8-6-18(17)13-20(31(3)4)16-29-23(33)14-22(26(10-11-26)25(2,27)28)19-7-9-24(34-5)30-15-19;1-17-12-21(31)8-7-18(17)13-20(30(3)4)16-29-23(32)14-22(19-6-5-11-28-15-19)25(9-10-25)24(2,26)27;1-15-9-19(32)6-5-16(15)10-18(31(3)4)14-28-21(33)11-20(22-29-12-17(25)13-30-22)24(7-8-24)23(2,26)27;1-16-12-19(31)7-6-17(16)13-18(30(3)4)15-29-21(32)14-20(22-27-10-5-11-28-22)24(8-9-24)23(2,25)26;2*1-15(2)19(17-6-5-9-24-13-17)12-22(28)25-14-18(26(3)4)10-16-7-8-21(27)20(23)11-16/h6-9,12,15,20,22,32H,10-11,13-14,16H2,1-5H3,(H,29,33);5-8,11-12,15,20,22,31H,9-10,13-14,16H2,1-4H3,(H,29,32);5-6,9,12-13,18,20,32H,7-8,10-11,14H2,1-4H3,(H,28,33);5-7,10-12,18,20,31H,8-9,13-15H2,1-4H3,(H,29,32);2*5-9,11,13,15,18-19,27H,10,12,14H2,1-4H3,(H,25,28)/t2*20-,22?;2*18-,20?;18-,19+;18-,19-/m000000/s1
InChIKeyTUDBHNAQGNAWBL-GLQLVCPESA-N
MW2656.57 g/mol
LogP24.35
Rot. Bonds59

About (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide

(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide (PubChem CID 167668753) has the molecular formula C143H191Cl3F8N20O13 and a molecular weight of 2656.57 g/mol. Its IUPAC name is (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide
PubChem CID167668753
Molecular FormulaC143H191Cl3F8N20O13
Molecular Weight2656.57 g/mol
Exact Mass2653.38
IUPAC Name(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide
SMILESCC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc(O)c(Cl)c1)N(C)C)c1cccnc1.CC(C)[C@H](CC(=O)NC[C@H](Cc1ccc(O)c(Cl)c1)N(C)C)c1cccnc1.COc1ccc(C(CC(=O)NC[C@H](Cc2ccc(O)cc2C)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)N(C)C
InChIInChI=1S/C26H35F2N3O3.C25H33F2N3O2.C24H31ClF2N4O2.C24H32F2N4O2.2C22H30ClN3O2/c1-17-12-21(32)8-6-18(17)13-20(31(3)4)16-29-23(33)14-22(26(10-11-26)25(2,27)28)19-7-9-24(34-5)30-15-19;1-17-12-21(31)8-7-18(17)13-20(30(3)4)16-29-23(32)14-22(19-6-5-11-28-15-19)25(9-10-25)24(2,26)27;1-15-9-19(32)6-5-16(15)10-18(31(3)4)14-28-21(33)11-20(22-29-12-17(25)13-30-22)24(7-8-24)23(2,26)27;1-16-12-19(31)7-6-17(16)13-18(30(3)4)15-29-21(32)14-20(22-27-10-5-11-28-22)24(8-9-24)23(2,25)26;2*1-15(2)19(17-6-5-9-24-13-17)12-22(28)25-14-18(26(3)4)10-16-7-8-21(27)20(23)11-16/h6-9,12,15,20,22,32H,10-11,13-14,16H2,1-5H3,(H,29,33);5-8,11-12,15,20,22,31H,9-10,13-14,16H2,1-4H3,(H,29,32);5-6,9,12-13,18,20,32H,7-8,10-11,14H2,1-4H3,(H,28,33);5-7,10-12,18,20,31H,8-9,13-15H2,1-4H3,(H,29,32);2*5-9,11,13,15,18-19,27H,10,12,14H2,1-4H3,(H,25,28)/t2*20-,22?;2*18-,20?;18-,19+;18-,19-/m000000/s1
InChIKeyTUDBHNAQGNAWBL-GLQLVCPESA-N
XLogP24.35
TPSA427.77 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds59
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002656.57
LogP ≤ 524.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide with MolForge

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Related Compounds

2-Tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 159289556
(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide
CID 167544546
3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methoxypyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide
CID 167572951
N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyrimidin-5-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyrimidin-5-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide
CID 167573571
(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyrimidin-5-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyrimidin-5-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide
CID 167573575
(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-4-methyl-3-pyridin-3-ylpentanamide
CID 167594360
(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide
CID 167625408
(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide
CID 167637485
(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;bis((3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide)
CID 167645196
(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 167665349
(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide
CID 167710186
(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide
CID 167710188

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide?
The IUPAC name of (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide (CID 167668753) is (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide is CC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc(O)c(Cl)c1)N(C)C)c1cccnc1.CC(C)[C@H](CC(=O)NC[C@H](Cc1ccc(O)c(Cl)c1)N(C)C)c1cccnc1.COc1ccc(C(CC(=O)NC[C@H](Cc2ccc(O)cc2C)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)ccc1C[C@@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)N(C)C.
What is the InChIKey of (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide?
The InChIKey is TUDBHNAQGNAWBL-GLQLVCPESA-N. The full InChI is InChI=1S/C26H35F2N3O3.C25H33F2N3O2.C24H31ClF2N4O2.C24H32F2N4O2.2C22H30ClN3O2/c1-17-12-21(32)8-6-18(17)13-20(31(3)4)16-29-23(33)14-22(26(10-11-26)25(2,27)28)19-7-9-24(34-5)30-15-19;1-17-12-21(31)8-7-18(17)13-20(30(3)4)16-29-23(32)14-22(19-6-5-11-28-15-19)25(9-10-25)24(2,26)27;1-15-9-19(32)6-5-16(15)10-18(31(3)4)14-28-21(33)11-20(22-29-12-17(25)13-30-22)24(7-8-24)23(2,26)27;1-16-12-19(31)7-6-17(16)13-18(30(3)4)15-29-21(32)14-20(22-27-10-5-11-28-22)24(8-9-24)23(2,25)26;2*1-15(2)19(17-6-5-9-24-13-17)12-22(28)25-14-18(26(3)4)10-16-7-8-21(27)20(23)11-16/h6-9,12,15,20,22,32H,10-11,13-14,16H2,1-5H3,(H,29,33);5-8,11-12,15,20,22,31H,9-10,13-14,16H2,1-4H3,(H,29,32);5-6,9,12-13,18,20,32H,7-8,10-11,14H2,1-4H3,(H,28,33);5-7,10-12,18,20,31H,8-9,13-15H2,1-4H3,(H,29,32);2*5-9,11,13,15,18-19,27H,10,12,14H2,1-4H3,(H,25,28)/t2*20-,22?;2*18-,20?;18-,19+;18-,19-/m000000/s1.
What are the key properties of (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide?
(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide has a molecular weight of 2656.57 g/mol, XLogP of 24.35, 59 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyridin-3-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 167668753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).