N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid

C28H34F3N5O6 — CID 11628575

IUPACN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H33N5O4.C2HF3O2/c1-18(2)21-6-5-20(15-22(21)28-23(32)17-29-11-13-35-14-12-29)31-24(33)26(3,4)30(25(31)34)16-19-7-9-27-10-8-19;3-2(4,5)1(6)7/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,28,32);(H,6,7)
InChIKeyAORHQEMCPTXVOK-UHFFFAOYSA-N
MW593.60 g/mol
LogP3.86
Rot. Bonds7

About N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 11628575) has the molecular formula C28H34F3N5O6 and a molecular weight of 593.60 g/mol. Its IUPAC name is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID11628575
Molecular FormulaC28H34F3N5O6
Molecular Weight593.60 g/mol
Exact Mass593.25
IUPAC NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H33N5O4.C2HF3O2/c1-18(2)21-6-5-20(15-22(21)28-23(32)17-29-11-13-35-14-12-29)31-24(33)26(3,4)30(25(31)34)16-19-7-9-27-10-8-19;3-2(4,5)1(6)7/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,28,32);(H,6,7)
InChIKeyAORHQEMCPTXVOK-UHFFFAOYSA-N
XLogP3.86
TPSA132.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.60
LogP ≤ 53.86
H-Bond Donors ≤ 52
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 N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;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-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 11628575) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;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-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;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-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN1CCOCC1.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-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is AORHQEMCPTXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4.C2HF3O2/c1-18(2)21-6-5-20(15-22(21)28-23(32)17-29-11-13-35-14-12-29)31-24(33)26(3,4)30(25(31)34)16-19-7-9-27-10-8-19;3-2(4,5)1(6)7/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,28,32);(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-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid?
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 593.60 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-propan-2-ylphenyl]-2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11628575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).