2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C24H23F6N3O — CID 89121414

About 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 89121414) has the molecular formula C24H23F6N3O and a molecular weight of 483.46 g/mol. Its IUPAC name is 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
• PubChem CID: 89121414
• Molecular Formula: C24H23F6N3O
• Molecular Weight: 483.46 g/mol
• Exact Mass: 483.17
• IUPAC Name: 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
• SMILES: C=C(/C=C\C(=C/N)N(CCc1ccc(C(F)(F)F)cc1)C(=O)C(N)c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C24H23F6N3O/c1-16(23(25,26)27)7-12-20(15-31)33(22(34)21(32)18-5-3-2-4-6-18)14-13-17-8-10-19(11-9-17)24(28,29)30/h2-12,15,21H,1,13-14,31-32H2/b12-7-,20-15+
• InChIKey: RTZFPSLUFSEUAN-NVDTWQGNSA-N
• XLogP: 5.25
• TPSA: 72.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.46
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?

The IUPAC name of 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 89121414) is 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

What is the SMILES notation for 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?

The canonical SMILES for 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is C=C(/C=C\C(=C/N)N(CCc1ccc(C(F)(F)F)cc1)C(=O)C(N)c1ccccc1)C(F)(F)F.

What is the InChIKey of 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?

The InChIKey is RTZFPSLUFSEUAN-NVDTWQGNSA-N. The full InChI is InChI=1S/C24H23F6N3O/c1-16(23(25,26)27)7-12-20(15-31)33(22(34)21(32)18-5-3-2-4-6-18)14-13-17-8-10-19(11-9-17)24(28,29)30/h2-12,15,21H,1,13-14,31-32H2/b12-7-,20-15+.

What are the key properties of 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?

2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 483.46 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 89121414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).