[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C20H23FN4O6 — CID 24687595

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H23FN4O6/c1-24(10-15(26)22-14-6-4-13(21)5-7-14)16(27)12-31-17(28)11-25-18(29)20(23-19(25)30)8-2-3-9-20/h4-7H,2-3,8-12H2,1H3,(H,22,26)(H,23,30)
InChIKeyLRNWXQJIXDSRCZ-UHFFFAOYSA-N
MW434.42 g/mol
LogP0.63
Rot. Bonds7

About [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 24687595) has the molecular formula C20H23FN4O6 and a molecular weight of 434.42 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID24687595
Molecular FormulaC20H23FN4O6
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H23FN4O6/c1-24(10-15(26)22-14-6-4-13(21)5-7-14)16(27)12-31-17(28)11-25-18(29)20(23-19(25)30)8-2-3-9-20/h4-7H,2-3,8-12H2,1H3,(H,22,26)(H,23,30)
InChIKeyLRNWXQJIXDSRCZ-UHFFFAOYSA-N
XLogP0.63
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16290888
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2109538
N-(2-cyanoethyl)-2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide
CID 2416181
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 2579313
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822115
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8850426
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 24981964
[2-(4-Fluoro-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 3450312
[2-(2,5-Difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 8898613
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 16304617
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437786
[2-(2-Methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2398631

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 24687595) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is LRNWXQJIXDSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O6/c1-24(10-15(26)22-14-6-4-13(21)5-7-14)16(27)12-31-17(28)11-25-18(29)20(23-19(25)30)8-2-3-9-20/h4-7H,2-3,8-12H2,1H3,(H,22,26)(H,23,30).
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 434.42 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 24687595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).