(2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide

C25H26F3N3O — CID 162555657

About (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide

(2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide (PubChem CID 162555657) has the molecular formula C25H26F3N3O and a molecular weight of 441.50 g/mol. Its IUPAC name is (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
• PubChem CID: 162555657
• Molecular Formula: C25H26F3N3O
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.20
• IUPAC Name: (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
• SMILES: CNC(=O)[C@H](NC(CCc1ccc(C(F)(F)F)nc1)c1cccc(C)c1)c1ccccc1
• InChI: InChI=1S/C25H26F3N3O/c1-17-7-6-10-20(15-17)21(13-11-18-12-14-22(30-16-18)25(26,27)28)31-23(24(32)29-2)19-8-4-3-5-9-19/h3-10,12,14-16,21,23,31H,11,13H2,1-2H3,(H,29,32)/t21?,23-/m1/s1
• InChIKey: YHGMZTDUIPXHBQ-JFGZAKSSSA-N
• XLogP: 5.16
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?

The IUPAC name of (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide (CID 162555657) is (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide.

What is the SMILES notation for (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?

The canonical SMILES for (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide is CNC(=O)[C@H](NC(CCc1ccc(C(F)(F)F)nc1)c1cccc(C)c1)c1ccccc1.

What is the InChIKey of (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?

The InChIKey is YHGMZTDUIPXHBQ-JFGZAKSSSA-N. The full InChI is InChI=1S/C25H26F3N3O/c1-17-7-6-10-20(15-17)21(13-11-18-12-14-22(30-16-18)25(26,27)28)31-23(24(32)29-2)19-8-4-3-5-9-19/h3-10,12,14-16,21,23,31H,11,13H2,1-2H3,(H,29,32)/t21?,23-/m1/s1.

What are the key properties of (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?

(2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide has a molecular weight of 441.50 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 162555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).