2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide

C13H20N4O4 — CID 9401246

IUPAC2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCC(N)=O)C2=O
InChIInChI=1S/C13H20N4O4/c1-8-2-4-13(5-3-8)11(20)17(12(21)16-13)7-10(19)15-6-9(14)18/h8H,2-7H2,1H3,(H2,14,18)(H,15,19)(H,16,21)
InChIKeyZUINTBVOGCIYAR-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.91
Rot. Bonds4

About 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide

2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide (PubChem CID 9401246) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
PubChem CID9401246
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCC(N)=O)C2=O
InChIInChI=1S/C13H20N4O4/c1-8-2-4-13(5-3-8)11(20)17(12(21)16-13)7-10(19)15-6-9(14)18/h8H,2-7H2,1H3,(H2,14,18)(H,15,19)(H,16,21)
InChIKeyZUINTBVOGCIYAR-UHFFFAOYSA-N
XLogP-0.91
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
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-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The IUPAC name of 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide (CID 9401246) is 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(N)=O)C2=O.
What is the InChIKey of 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The InChIKey is ZUINTBVOGCIYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-8-2-4-13(5-3-8)11(20)17(12(21)16-13)7-10(19)15-6-9(14)18/h8H,2-7H2,1H3,(H2,14,18)(H,15,19)(H,16,21).
What are the key properties of 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide has a molecular weight of 296.33 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 9401246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).