N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)

C31H34F9N5O9 — CID 162330888

About N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 162330888) has the molecular formula C31H34F9N5O9 and a molecular weight of 791.62 g/mol. Its IUPAC name is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 162330888
• Molecular Formula: C31H34F9N5O9
• Molecular Weight: 791.62 g/mol
• Exact Mass: 791.22
• IUPAC Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC1(C)COCCN1CCC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H32F3N5O5.2C2HF3O2/c1-25(2)17-39-14-13-33(25)12-9-22(36)32-20-15-19(5-6-21(20)40-27(28,29)30)35-23(37)26(3,4)34(24(35)38)16-18-7-10-31-11-8-18;2*3-2(4,5)1(6)7/h5-8,10-11,15H,9,12-14,16-17H2,1-4H3,(H,32,36);2*(H,6,7)
• InChIKey: UUVUNLJPZRTWES-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 178.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.62
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid) (CID 162330888) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid) is CC1(C)COCCN1CCC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is UUVUNLJPZRTWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O5.2C2HF3O2/c1-25(2)17-39-14-13-33(25)12-9-22(36)32-20-15-19(5-6-21(20)40-27(28,29)30)35-23(37)26(3,4)34(24(35)38)16-18-7-10-31-11-8-18;2*3-2(4,5)1(6)7/h5-8,10-11,15H,9,12-14,16-17H2,1-4H3,(H,32,36);2*(H,6,7).

What are the key properties of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)?

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 791.62 g/mol, XLogP of 5.43, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162330888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).