2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C20H28FN3O3 — CID 46665930

IUPAC2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)N(C)C(C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H28FN3O3/c1-5-11-20(12-6-2)18(26)24(19(27)22-20)13-17(25)23(4)14(3)15-7-9-16(21)10-8-15/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,27)
InChIKeyOGVPKJGVDCGNOF-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.24
Rot. Bonds8

About 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 46665930) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID46665930
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)N(C)C(C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H28FN3O3/c1-5-11-20(12-6-2)18(26)24(19(27)22-20)13-17(25)23(4)14(3)15-7-9-16(21)10-8-15/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,27)
InChIKeyOGVPKJGVDCGNOF-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51883733
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 72920676
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 55469146
N-[1-(3,4-difluorophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 134024782
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46588357
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054177
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46647711
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054178
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 51214124
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
CID 119358988
2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 97243650

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 46665930) is 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CCCC1(CCC)NC(=O)N(CC(=O)N(C)C(C)c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is OGVPKJGVDCGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-5-11-20(12-6-2)18(26)24(19(27)22-20)13-17(25)23(4)14(3)15-7-9-16(21)10-8-15/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,27).
What are the key properties of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 377.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 46665930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).