(5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C20H24N2O6 — CID 7821744

IUPAC(5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H24N2O6/c1-3-27-16-7-6-14(13(2)23)10-15(16)12-28-17(24)11-22-18(25)20(21-19(22)26)8-4-5-9-20/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,26)
InChIKeyBGSYENYVCFOMNL-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.20
Rot. Bonds7

About (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

(5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7821744) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name(5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7821744
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name(5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H24N2O6/c1-3-27-16-7-6-14(13(2)23)10-15(16)12-28-17(24)11-22-18(25)20(21-19(22)26)8-4-5-9-20/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,26)
InChIKeyBGSYENYVCFOMNL-UHFFFAOYSA-N
XLogP2.20
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7821744) is (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CCOc1ccc(C(C)=O)cc1COC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is BGSYENYVCFOMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-3-27-16-7-6-14(13(2)23)10-15(16)12-28-17(24)11-22-18(25)20(21-19(22)26)8-4-5-9-20/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,26).
What are the key properties of (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
(5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 388.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7821744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).