N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide

C22H23F3N4O4 — CID 24665083

IUPACN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C22H23F3N4O4/c1-3-21(16-10-5-4-6-11-16)19(31)29(20(32)26-21)27-18(30)14-28(2)13-15-9-7-8-12-17(15)33-22(23,24)25/h4-12H,3,13-14H2,1-2H3,(H,26,32)(H,27,30)
InChIKeyYXPUHKPVGGUWIJ-UHFFFAOYSA-N
MW464.44 g/mol
LogP2.91
Rot. Bonds8

About N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide

N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide (PubChem CID 24665083) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
PubChem CID24665083
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C22H23F3N4O4/c1-3-21(16-10-5-4-6-11-16)19(31)29(20(32)26-21)27-18(30)14-28(2)13-15-9-7-8-12-17(15)33-22(23,24)25/h4-12H,3,13-14H2,1-2H3,(H,26,32)(H,27,30)
InChIKeyYXPUHKPVGGUWIJ-UHFFFAOYSA-N
XLogP2.91
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide (CID 24665083) is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide is CCC1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2ccccc2OC(F)(F)F)C1=O.
What is the InChIKey of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The InChIKey is YXPUHKPVGGUWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-3-21(16-10-5-4-6-11-16)19(31)29(20(32)26-21)27-18(30)14-28(2)13-15-9-7-8-12-17(15)33-22(23,24)25/h4-12H,3,13-14H2,1-2H3,(H,26,32)(H,27,30).
What are the key properties of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide has a molecular weight of 464.44 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 24665083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).