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

C18H20N2O5 — CID 24982111

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCC(OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)c1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12(15(22)13-7-3-2-4-8-13)25-14(21)11-20-16(23)18(19-17(20)24)9-5-6-10-18/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,19,24)
InChIKeyTVQSYBSMLGBWPN-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.67
Rot. Bonds5

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

(1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 24982111) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID24982111
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCC(OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)c1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12(15(22)13-7-3-2-4-8-13)25-14(21)11-20-16(23)18(19-17(20)24)9-5-6-10-18/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,19,24)
InChIKeyTVQSYBSMLGBWPN-UHFFFAOYSA-N
XLogP1.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 24982111) is (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CC(OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is TVQSYBSMLGBWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(15(22)13-7-3-2-4-8-13)25-14(21)11-20-16(23)18(19-17(20)24)9-5-6-10-18/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,19,24).
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
(1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 344.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 24982111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).