2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C18H22FN3O4 — CID 55469146

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)N(C)C(C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H22FN3O4/c1-4-5-10-21-16(24)17(25)22(18(21)26)11-15(23)20(3)12(2)13-6-8-14(19)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyQVNRAPHLFCTACK-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.94
Rot. Bonds7

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 55469146) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID55469146
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)N(C)C(C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H22FN3O4/c1-4-5-10-21-16(24)17(25)22(18(21)26)11-15(23)20(3)12(2)13-6-8-14(19)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyQVNRAPHLFCTACK-UHFFFAOYSA-N
XLogP1.94
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 55469146) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CCCCN1C(=O)C(=O)N(CC(=O)N(C)C(C)c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is QVNRAPHLFCTACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-4-5-10-21-16(24)17(25)22(18(21)26)11-15(23)20(3)12(2)13-6-8-14(19)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 363.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 55469146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).