(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide

C168H222F14N16O12 — CID 167647390

IUPAC(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1
InChIInChI=1S/2C29H38F3N3O2.2C28H34F4N2O2.2C27H39N3O2/c2*1-7-25(36)23-11-10-20(19(3)27(23)30)14-22(35(5)6)17-34-26(37)15-24(21-9-8-18(2)33-16-21)29(12-13-29)28(4,31)32;2*1-5-25(35)20-11-10-19(18(2)14-20)15-21(34(3)4)17-33-26(36)16-23(22-8-6-7-9-24(22)29)27(12-13-27)28(30,31)32;2*1-7-26(31)22-11-10-21(20(4)14-22)15-25(30(5)6)18-29-27(32)16-24(13-19(2)3)23-9-8-12-28-17-23/h2*8-11,16,22,24H,7,12-15,17H2,1-6H3,(H,34,37);2*6-11,14,21,23H,5,12-13,15-17H2,1-4H3,(H,33,36);2*8-12,14,17,19,24-25H,7,13,15-16,18H2,1-6H3,(H,29,32)/t22-,24+;22-,24-;21-,23+;21-,23-;24-,25+;24-,25-/m000010/s1
InChIKeyQBPUEVATPXCIHO-ZTINHASUSA-N
MW2923.70 g/mol
LogP32.50
Rot. Bonds70

About (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide

(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide (PubChem CID 167647390) has the molecular formula C168H222F14N16O12 and a molecular weight of 2923.70 g/mol. Its IUPAC name is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide.

Molecular Properties

Compound Name(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide
PubChem CID167647390
Molecular FormulaC168H222F14N16O12
Molecular Weight2923.70 g/mol
Exact Mass2921.70
IUPAC Name(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1
InChIInChI=1S/2C29H38F3N3O2.2C28H34F4N2O2.2C27H39N3O2/c2*1-7-25(36)23-11-10-20(19(3)27(23)30)14-22(35(5)6)17-34-26(37)15-24(21-9-8-18(2)33-16-21)29(12-13-29)28(4,31)32;2*1-5-25(35)20-11-10-19(18(2)14-20)15-21(34(3)4)17-33-26(36)16-23(22-8-6-7-9-24(22)29)27(12-13-27)28(30,31)32;2*1-7-26(31)22-11-10-21(20(4)14-22)15-25(30(5)6)18-29-27(32)16-24(13-19(2)3)23-9-8-12-28-17-23/h2*8-11,16,22,24H,7,12-15,17H2,1-6H3,(H,34,37);2*6-11,14,21,23H,5,12-13,15-17H2,1-4H3,(H,33,36);2*8-12,14,17,19,24-25H,7,13,15-16,18H2,1-6H3,(H,29,32)/t22-,24+;22-,24-;21-,23+;21-,23-;24-,25+;24-,25-/m000010/s1
InChIKeyQBPUEVATPXCIHO-ZTINHASUSA-N
XLogP32.50
TPSA348.02 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds70
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002923.70
LogP ≤ 532.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide with MolForge

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Related Compounds

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4-((S)-2-(dimethylamino)-3-((R)-3-(6-methylpyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-N,3-dimethylbenzamide
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CID 59732226

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide?
The IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide (CID 167647390) is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide.
What is the SMILES notation for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide?
The canonical SMILES for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide is CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1.
What is the InChIKey of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide?
The InChIKey is QBPUEVATPXCIHO-ZTINHASUSA-N. The full InChI is InChI=1S/2C29H38F3N3O2.2C28H34F4N2O2.2C27H39N3O2/c2*1-7-25(36)23-11-10-20(19(3)27(23)30)14-22(35(5)6)17-34-26(37)15-24(21-9-8-18(2)33-16-21)29(12-13-29)28(4,31)32;2*1-5-25(35)20-11-10-19(18(2)14-20)15-21(34(3)4)17-33-26(36)16-23(22-8-6-7-9-24(22)29)27(12-13-27)28(30,31)32;2*1-7-26(31)22-11-10-21(20(4)14-22)15-25(30(5)6)18-29-27(32)16-24(13-19(2)3)23-9-8-12-28-17-23/h2*8-11,16,22,24H,7,12-15,17H2,1-6H3,(H,34,37);2*6-11,14,21,23H,5,12-13,15-17H2,1-4H3,(H,33,36);2*8-12,14,17,19,24-25H,7,13,15-16,18H2,1-6H3,(H,29,32)/t22-,24+;22-,24-;21-,23+;21-,23-;24-,25+;24-,25-/m000010/s1.
What are the key properties of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide?
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide has a molecular weight of 2923.70 g/mol, XLogP of 32.50, 70 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide is sourced from PubChem (CID 167647390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).