4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide

C162H188F18N18O12 — CID 167584972

IUPAC4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
SMILESCN(Cc1ccccc1)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN(Cc1ccccc1)[C@H](CNC(=O)C[C@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN[C@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN[C@H](CNC(=O)C[C@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cc1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/2C31H34F3N3O2.2C26H32F3N3O2.2C24H28F3N3O2/c2*1-37(21-23-8-4-2-5-9-23)26(18-22-12-14-25(15-13-22)29(35)39)20-36-28(38)19-27(24-10-6-3-7-11-24)30(16-17-30)31(32,33)34;2*1-17-4-8-19(9-5-17)22(25(12-13-25)26(27,28)29)15-23(33)31-16-21(32(2)3)14-18-6-10-20(11-7-18)24(30)34;2*1-29-19(13-16-7-9-18(10-8-16)22(28)32)15-30-21(31)14-20(17-5-3-2-4-6-17)23(11-12-23)24(25,26)27/h2*2-15,26-27H,16-21H2,1H3,(H2,35,39)(H,36,38);2*4-11,21-22H,12-16H2,1-3H3,(H2,30,34)(H,31,33);2*2-10,19-20,29H,11-15H2,1H3,(H2,28,32)(H,30,31)/t26-,27+;26-,27-;21-,22+;21-,22-;19-,20+;19-,20-/m000000/s1
InChIKeyHRHFKNXCMYAXTP-VUABUFMFSA-N
MW2921.36 g/mol
LogP26.42
Rot. Bonds64

About 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide

4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide (PubChem CID 167584972) has the molecular formula C162H188F18N18O12 and a molecular weight of 2921.36 g/mol. Its IUPAC name is 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
PubChem CID167584972
Molecular FormulaC162H188F18N18O12
Molecular Weight2921.36 g/mol
Exact Mass2919.44
IUPAC Name4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
SMILESCN(Cc1ccccc1)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN(Cc1ccccc1)[C@H](CNC(=O)C[C@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN[C@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN[C@H](CNC(=O)C[C@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cc1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/2C31H34F3N3O2.2C26H32F3N3O2.2C24H28F3N3O2/c2*1-37(21-23-8-4-2-5-9-23)26(18-22-12-14-25(15-13-22)29(35)39)20-36-28(38)19-27(24-10-6-3-7-11-24)30(16-17-30)31(32,33)34;2*1-17-4-8-19(9-5-17)22(25(12-13-25)26(27,28)29)15-23(33)31-16-21(32(2)3)14-18-6-10-20(11-7-18)24(30)34;2*1-29-19(13-16-7-9-18(10-8-16)22(28)32)15-30-21(31)14-20(17-5-3-2-4-6-17)23(11-12-23)24(25,26)27/h2*2-15,26-27H,16-21H2,1H3,(H2,35,39)(H,36,38);2*4-11,21-22H,12-16H2,1-3H3,(H2,30,34)(H,31,33);2*2-10,19-20,29H,11-15H2,1H3,(H2,28,32)(H,30,31)/t26-,27+;26-,27-;21-,22+;21-,22-;19-,20+;19-,20-/m000000/s1
InChIKeyHRHFKNXCMYAXTP-VUABUFMFSA-N
XLogP26.42
TPSA470.16 Ų
H-Bond Donors14
H-Bond Acceptors18
Rotatable Bonds64
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002921.36
LogP ≤ 526.42
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1018

Analyze 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide with MolForge

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Related Compounds

4-[(2S)-2-[benzyl(methyl)amino]-3-[[(S)-phenyl-[1-(trifluoromethyl)cyclopropyl]methyl]amino]propyl]benzamide
CID 166025543
4-[2-(dimethylamino)-3-[[3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 175526182
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-phenylbutanoyl]amino]propyl]benzamide
CID 139568810
(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025401
4-[(2S)-3-amino-2-(dimethylamino)propyl]phenol;N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 167573804
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 166025519
(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-phenylpropanamide
CID 167566287
N-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 175526140
4-[(2S)-2-(dimethylamino)-3-[[3-pyrimidin-5-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 166025323
[[amino-[4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]phenyl]methylidene]amino]methylideneazanium
CID 165405370
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 166025468
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 167539142

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The IUPAC name of 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide (CID 167584972) is 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide.
What is the SMILES notation for 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The canonical SMILES for 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide is CN(Cc1ccccc1)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN(Cc1ccccc1)[C@H](CNC(=O)C[C@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN[C@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN[C@H](CNC(=O)C[C@H](c1ccccc1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cc1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The InChIKey is HRHFKNXCMYAXTP-VUABUFMFSA-N. The full InChI is InChI=1S/2C31H34F3N3O2.2C26H32F3N3O2.2C24H28F3N3O2/c2*1-37(21-23-8-4-2-5-9-23)26(18-22-12-14-25(15-13-22)29(35)39)20-36-28(38)19-27(24-10-6-3-7-11-24)30(16-17-30)31(32,33)34;2*1-17-4-8-19(9-5-17)22(25(12-13-25)26(27,28)29)15-23(33)31-16-21(32(2)3)14-18-6-10-20(11-7-18)24(30)34;2*1-29-19(13-16-7-9-18(10-8-16)22(28)32)15-30-21(31)14-20(17-5-3-2-4-6-17)23(11-12-23)24(25,26)27/h2*2-15,26-27H,16-21H2,1H3,(H2,35,39)(H,36,38);2*4-11,21-22H,12-16H2,1-3H3,(H2,30,34)(H,31,33);2*2-10,19-20,29H,11-15H2,1H3,(H2,28,32)(H,30,31)/t26-,27+;26-,27-;21-,22+;21-,22-;19-,20+;19-,20-/m000000/s1.
What are the key properties of 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide has a molecular weight of 2921.36 g/mol, XLogP of 26.42, 64 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-[benzyl(methyl)amino]-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(4-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3S)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(methylamino)-3-[[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide is sourced from PubChem (CID 167584972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).