[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

C19H21FN4O6 — CID 7877843

IUPAC[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H21FN4O6/c20-13-6-4-12(5-7-13)16(27)21-10-15(26)30-11-14(25)23-24-17(28)19(22-18(24)29)8-2-1-3-9-19/h4-7H,1-3,8-11H2,(H,21,27)(H,22,29)(H,23,25)
InChIKeySODWUAJUENLICS-UHFFFAOYSA-N
MW420.40 g/mol
LogP0.38
Rot. Bonds6

About [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7877843) has the molecular formula C19H21FN4O6 and a molecular weight of 420.40 g/mol. Its IUPAC name is [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7877843
Molecular FormulaC19H21FN4O6
Molecular Weight420.40 g/mol
Exact Mass420.14
IUPAC Name[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H21FN4O6/c20-13-6-4-12(5-7-13)16(27)21-10-15(26)30-11-14(25)23-24-17(28)19(22-18(24)29)8-2-1-3-9-19/h4-7H,1-3,8-11H2,(H,21,27)(H,22,29)(H,23,25)
InChIKeySODWUAJUENLICS-UHFFFAOYSA-N
XLogP0.38
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523744
4-O-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239618
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] benzoate
CID 7874358
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580465
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873242
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579141
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767775
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878271
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 7717000
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500399
2-(4-acetylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 47094171
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (CID 7877843) is [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is SODWUAJUENLICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O6/c20-13-6-4-12(5-7-13)16(27)21-10-15(26)30-11-14(25)23-24-17(28)19(22-18(24)29)8-2-1-3-9-19/h4-7H,1-3,8-11H2,(H,21,27)(H,22,29)(H,23,25).
What are the key properties of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 420.40 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7877843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).