2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid

C26H29F6N5O6 — CID 11585347

IUPAC2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)NCC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28F3N5O4.C2HF3O2/c1-22(2,3)29-13-19(33)30-17-12-16(6-7-18(17)36-24(25,26)27)32-20(34)23(4,5)31(21(32)35)14-15-8-10-28-11-9-15;3-2(4,5)1(6)7/h6-12,29H,13-14H2,1-5H3,(H,30,33);(H,6,7)
InChIKeyQXQYHDMUXLFZTR-UHFFFAOYSA-N
MW621.54 g/mol
LogP4.69
Rot. Bonds7

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

2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11585347) has the molecular formula C26H29F6N5O6 and a molecular weight of 621.54 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID11585347
Molecular FormulaC26H29F6N5O6
Molecular Weight621.54 g/mol
Exact Mass621.20
IUPAC Name2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)NCC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28F3N5O4.C2HF3O2/c1-22(2,3)29-13-19(33)30-17-12-16(6-7-18(17)36-24(25,26)27)32-20(34)23(4,5)31(21(32)35)14-15-8-10-28-11-9-15;3-2(4,5)1(6)7/h6-12,29H,13-14H2,1-5H3,(H,30,33);(H,6,7)
InChIKeyQXQYHDMUXLFZTR-UHFFFAOYSA-N
XLogP4.69
TPSA141.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.54
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 11585347) is 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid is CC(C)(C)NCC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is QXQYHDMUXLFZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O4.C2HF3O2/c1-22(2,3)29-13-19(33)30-17-12-16(6-7-18(17)36-24(25,26)27)32-20(34)23(4,5)31(21(32)35)14-15-8-10-28-11-9-15;3-2(4,5)1(6)7/h6-12,29H,13-14H2,1-5H3,(H,30,33);(H,6,7).
What are the key properties of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid?
2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 621.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11585347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).