N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid

C23H27F3N4O6 — CID 11706196

IUPACN-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(C(=O)NO)N1CCN(Cc2ccc(OCc3ccncc3)cc2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26N4O4.C2HF3O2/c1-15(2)19(20(26)23-28)25-12-11-24(21(25)27)13-16-3-5-18(6-4-16)29-14-17-7-9-22-10-8-17;3-2(4,5)1(6)7/h3-10,15,19,28H,11-14H2,1-2H3,(H,23,26);(H,6,7)
InChIKeyBEPIUVHFGDUHMU-UHFFFAOYSA-N
MW512.49 g/mol
LogP3.06
Rot. Bonds8

About N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid

N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid (PubChem CID 11706196) has the molecular formula C23H27F3N4O6 and a molecular weight of 512.49 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid
PubChem CID11706196
Molecular FormulaC23H27F3N4O6
Molecular Weight512.49 g/mol
Exact Mass512.19
IUPAC NameN-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(C(=O)NO)N1CCN(Cc2ccc(OCc3ccncc3)cc2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26N4O4.C2HF3O2/c1-15(2)19(20(26)23-28)25-12-11-24(21(25)27)13-16-3-5-18(6-4-16)29-14-17-7-9-22-10-8-17;3-2(4,5)1(6)7/h3-10,15,19,28H,11-14H2,1-2H3,(H,23,26);(H,6,7)
InChIKeyBEPIUVHFGDUHMU-UHFFFAOYSA-N
XLogP3.06
TPSA132.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid (CID 11706196) is N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid is CC(C)C(C(=O)NO)N1CCN(Cc2ccc(OCc3ccncc3)cc2)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is BEPIUVHFGDUHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4.C2HF3O2/c1-15(2)19(20(26)23-28)25-12-11-24(21(25)27)13-16-3-5-18(6-4-16)29-14-17-7-9-22-10-8-17;3-2(4,5)1(6)7/h3-10,15,19,28H,11-14H2,1-2H3,(H,23,26);(H,6,7).
What are the key properties of N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid?
N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 512.49 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11706196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).