[2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

C20H23FN2O6 — CID 9381751

IUPAC[2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CC(=O)NC(=O)C23CCCCC3)cc1F
InChIInChI=1S/C20H23FN2O6/c1-28-15-6-5-13(9-14(15)21)10-18(26)29-12-17(25)23-11-16(24)22-19(27)20(23)7-3-2-4-8-20/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,22,24,27)
InChIKeyVUQLHJGPUBUDSW-UHFFFAOYSA-N
MW406.41 g/mol
LogP1.11
Rot. Bonds5

About [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

[2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 9381751) has the molecular formula C20H23FN2O6 and a molecular weight of 406.41 g/mol. Its IUPAC name is [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID9381751
Molecular FormulaC20H23FN2O6
Molecular Weight406.41 g/mol
Exact Mass406.15
IUPAC Name[2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CC(=O)NC(=O)C23CCCCC3)cc1F
InChIInChI=1S/C20H23FN2O6/c1-28-15-6-5-13(9-14(15)21)10-18(26)29-12-17(25)23-11-16(24)22-19(27)20(23)7-3-2-4-8-20/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,22,24,27)
InChIKeyVUQLHJGPUBUDSW-UHFFFAOYSA-N
XLogP1.11
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667589
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 8586891
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8608526
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609621
1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
2-(3-fluoro-4-methoxyphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116569863
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667364
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685144

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 9381751) is [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N2CC(=O)NC(=O)C23CCCCC3)cc1F.
What is the InChIKey of [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is VUQLHJGPUBUDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O6/c1-28-15-6-5-13(9-14(15)21)10-18(26)29-12-17(25)23-11-16(24)22-19(27)20(23)7-3-2-4-8-20/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,22,24,27).
What are the key properties of [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 406.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 9381751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).