2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C14H21N3O4 — CID 25363040

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H21N3O4/c18-11(15-8-10-4-3-7-21-10)9-17-12(19)14(16-13(17)20)5-1-2-6-14/h10H,1-9H2,(H,15,18)(H,16,20)/t10-/m0/s1
InChIKeyBKDGPSHTJPYBJP-JTQLQIEISA-N
MW295.34 g/mol
LogP0.15
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 25363040) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID25363040
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H21N3O4/c18-11(15-8-10-4-3-7-21-10)9-17-12(19)14(16-13(17)20)5-1-2-6-14/h10H,1-9H2,(H,15,18)(H,16,20)/t10-/m0/s1
InChIKeyBKDGPSHTJPYBJP-JTQLQIEISA-N
XLogP0.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 25363040) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is BKDGPSHTJPYBJP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O4/c18-11(15-8-10-4-3-7-21-10)9-17-12(19)14(16-13(17)20)5-1-2-6-14/h10H,1-9H2,(H,15,18)(H,16,20)/t10-/m0/s1.
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 25363040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).