bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid

C54H50F12N4O8 — CID 173329831

About bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid

bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid (PubChem CID 173329831) has the molecular formula C54H50F12N4O8 and a molecular weight of 1110.99 g/mol. Its IUPAC name is bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid.

Molecular Properties

• Compound Name: bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid
• PubChem CID: 173329831
• Molecular Formula: C54H50F12N4O8
• Molecular Weight: 1110.99 g/mol
• Exact Mass: 1110.34
• IUPAC Name: bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid
• SMILES: NCC(=O)NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.NCC(=O)NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.O=C(O)C(=O)O
• InChI: InChI=1S/2C26H24F6N2O2.C2H2O4/c2*27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-36-16-22(34-23(35)14-33)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19;3-1(4)2(5)6/h2*1-13,22,24H,14-16,33H2,(H,34,35);(H,3,4)(H,5,6)
• InChIKey: GAMGLNPVWYHPPJ-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 203.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.99
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid?

The IUPAC name of bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid (CID 173329831) is bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid.

What is the SMILES notation for bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid?

The canonical SMILES for bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid is NCC(=O)NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.NCC(=O)NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.O=C(O)C(=O)O.

What is the InChIKey of bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid?

The InChIKey is GAMGLNPVWYHPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24F6N2O2.C2H2O4/c2*27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-36-16-22(34-23(35)14-33)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19;3-1(4)2(5)6/h2*1-13,22,24H,14-16,33H2,(H,34,35);(H,3,4)(H,5,6).

What are the key properties of bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid?

bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid has a molecular weight of 1110.99 g/mol, XLogP of 10.19, 18 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid is sourced from PubChem (CID 173329831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).