[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C20H24N2O5 — CID 18270772

IUPAC[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCc1ccc(C(=O)C(C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C20H24N2O5/c1-3-14-6-8-15(9-7-14)17(24)13(2)27-16(23)12-22-18(25)20(21-19(22)26)10-4-5-11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,26)
InChIKeyOCBZXXKOWXVEKH-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.23
Rot. Bonds6

About [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 18270772) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID18270772
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCc1ccc(C(=O)C(C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C20H24N2O5/c1-3-14-6-8-15(9-7-14)17(24)13(2)27-16(23)12-22-18(25)20(21-19(22)26)10-4-5-11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,26)
InChIKeyOCBZXXKOWXVEKH-UHFFFAOYSA-N
XLogP2.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 18270772) is [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CCc1ccc(C(=O)C(C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is OCBZXXKOWXVEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-14-6-8-15(9-7-14)17(24)13(2)27-16(23)12-22-18(25)20(21-19(22)26)10-4-5-11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,26).
What are the key properties of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 372.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 18270772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).