(2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide

C25H23F6N3O2 — CID 87566305

About (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide

(2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide (PubChem CID 87566305) has the molecular formula C25H23F6N3O2 and a molecular weight of 511.47 g/mol. Its IUPAC name is (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide.

Molecular Properties

• Compound Name: (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide
• PubChem CID: 87566305
• Molecular Formula: C25H23F6N3O2
• Molecular Weight: 511.47 g/mol
• Exact Mass: 511.17
• IUPAC Name: (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide
• SMILES: CNC(=O)[C@@H](N[C@H](CCc1ccc(C(F)(F)F)nc1)c1cccc(OC(F)(F)F)c1)c1ccccc1
• InChI: InChI=1S/C25H23F6N3O2/c1-32-23(35)22(17-6-3-2-4-7-17)34-20(18-8-5-9-19(14-18)36-25(29,30)31)12-10-16-11-13-21(33-15-16)24(26,27)28/h2-9,11,13-15,20,22,34H,10,12H2,1H3,(H,32,35)/t20-,22+/m1/s1
• InChIKey: AMIOZIYQVLEWQI-IRLDBZIGSA-N
• XLogP: 5.75
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.47
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide?

The IUPAC name of (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide (CID 87566305) is (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide.

What is the SMILES notation for (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide?

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

What is the InChIKey of (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide?

The InChIKey is AMIOZIYQVLEWQI-IRLDBZIGSA-N. The full InChI is InChI=1S/C25H23F6N3O2/c1-32-23(35)22(17-6-3-2-4-7-17)34-20(18-8-5-9-19(14-18)36-25(29,30)31)12-10-16-11-13-21(33-15-16)24(26,27)28/h2-9,11,13-15,20,22,34H,10,12H2,1H3,(H,32,35)/t20-,22+/m1/s1.

What are the key properties of (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide?

(2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide has a molecular weight of 511.47 g/mol, XLogP of 5.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide is sourced from PubChem (CID 87566305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).