(3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide

C144H184F12N16O12 — CID 167665938

IUPAC(3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1c(F)cc(O)cc1F.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1cc(F)c(O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1c(F)cc(O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1cc(F)c(O)cc1F.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](CC1CC1)c1cccnc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](CC1CC1)c1cccnc1)N(C)C
InChIInChI=1S/2C25H35N3O2.2C24H29F4N3O2.2C23H28F2N2O2/c2*1-17-10-23(29)11-18(2)24(17)14-22(28(3)4)16-27-25(30)13-21(12-19-7-8-19)20-6-5-9-26-15-20;2*1-23(27,28)24(6-7-24)18(15-5-4-8-29-13-15)11-22(33)30-14-17(31(2)3)9-16-10-20(26)21(32)12-19(16)25;2*1-27(2)17(10-20-21(24)11-18(28)12-22(20)25)14-26-23(29)13-19(16-8-9-16)15-6-4-3-5-7-15/h2*5-6,9-11,15,19,21-22,29H,7-8,12-14,16H2,1-4H3,(H,27,30);2*4-5,8,10,12-13,17-18,32H,6-7,9,11,14H2,1-3H3,(H,30,33);2*3-7,11-12,16-17,19,28H,8-10,13-14H2,1-2H3,(H,26,29)/t21-,22+;21-,22-;17-,18+;17-,18-;17-,19+;17-,19-/m100000/s1
InChIKeySQGKADNCSXFISR-NVPJOJQKSA-N
MW2559.13 g/mol
LogP24.15
Rot. Bonds58

About (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide

(3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide (PubChem CID 167665938) has the molecular formula C144H184F12N16O12 and a molecular weight of 2559.13 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide
PubChem CID167665938
Molecular FormulaC144H184F12N16O12
Molecular Weight2559.13 g/mol
Exact Mass2557.41
IUPAC Name(3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1c(F)cc(O)cc1F.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1cc(F)c(O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1c(F)cc(O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1cc(F)c(O)cc1F.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](CC1CC1)c1cccnc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](CC1CC1)c1cccnc1)N(C)C
InChIInChI=1S/2C25H35N3O2.2C24H29F4N3O2.2C23H28F2N2O2/c2*1-17-10-23(29)11-18(2)24(17)14-22(28(3)4)16-27-25(30)13-21(12-19-7-8-19)20-6-5-9-26-15-20;2*1-23(27,28)24(6-7-24)18(15-5-4-8-29-13-15)11-22(33)30-14-17(31(2)3)9-16-10-20(26)21(32)12-19(16)25;2*1-27(2)17(10-20-21(24)11-18(28)12-22(20)25)14-26-23(29)13-19(16-8-9-16)15-6-4-3-5-7-15/h2*5-6,9-11,15,19,21-22,29H,7-8,12-14,16H2,1-4H3,(H,27,30);2*4-5,8,10,12-13,17-18,32H,6-7,9,11,14H2,1-3H3,(H,30,33);2*3-7,11-12,16-17,19,28H,8-10,13-14H2,1-2H3,(H,26,29)/t21-,22+;21-,22-;17-,18+;17-,18-;17-,19+;17-,19-/m100000/s1
InChIKeySQGKADNCSXFISR-NVPJOJQKSA-N
XLogP24.15
TPSA366.98 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds58
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002559.13
LogP ≤ 524.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide with MolForge

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Related Compounds

(R)-N-((S)-2-(dimethylamino)-3-(4-hydroxy-2-(trifluoromethyl)phenyl)propyl)-3-(pyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl) propanamide
CID 166025374
N-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl)-3-(1-(trifluoromethyl)cyclopropyl)-3-(6-(trifluoromethyl)pyridin-3-yl)propanamide
CID 165405268
N-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl)-3-(5-fluoropyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 165405475
(S)-N-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl)-3-(pyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 166025275
(S)-N-((S)-2-(dimethylamino)-3-(4-hydroxy-2-(trifluoromethyl)phenyl)propyl)-3-(1-methylcyclopropyl)-3-(pyridin-3-yl)propanamide
CID 166025281
N-((S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl)-3-(pyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 166025366
(R)-N-((S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl)-3-(pyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 166025529
N-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl)-3-(pyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 166025563
(R)-N-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl)-3-(pyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 166025615
2-(Aminomethyl)-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(1-aminopropan-2-ylamino)methyl]-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(tert-butylamino)methyl]-4-(3-fluorophenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(tert-butylamino)methyl]-4-(4-fluorophenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 157400909
(3R)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
CID 166025394
N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025575

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide (CID 167665938) is (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide is CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1c(F)cc(O)cc1F.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1cc(F)c(O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1c(F)cc(O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1cc(F)c(O)cc1F.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](CC1CC1)c1cccnc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](CC1CC1)c1cccnc1)N(C)C.
What is the InChIKey of (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide?
The InChIKey is SQGKADNCSXFISR-NVPJOJQKSA-N. The full InChI is InChI=1S/2C25H35N3O2.2C24H29F4N3O2.2C23H28F2N2O2/c2*1-17-10-23(29)11-18(2)24(17)14-22(28(3)4)16-27-25(30)13-21(12-19-7-8-19)20-6-5-9-26-15-20;2*1-23(27,28)24(6-7-24)18(15-5-4-8-29-13-15)11-22(33)30-14-17(31(2)3)9-16-10-20(26)21(32)12-19(16)25;2*1-27(2)17(10-20-21(24)11-18(28)12-22(20)25)14-26-23(29)13-19(16-8-9-16)15-6-4-3-5-7-15/h2*5-6,9-11,15,19,21-22,29H,7-8,12-14,16H2,1-4H3,(H,27,30);2*4-5,8,10,12-13,17-18,32H,6-7,9,11,14H2,1-3H3,(H,30,33);2*3-7,11-12,16-17,19,28H,8-10,13-14H2,1-2H3,(H,26,29)/t21-,22+;21-,22-;17-,18+;17-,18-;17-,19+;17-,19-/m100000/s1.
What are the key properties of (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide?
(3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide has a molecular weight of 2559.13 g/mol, XLogP of 24.15, 58 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylpropanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 167665938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).