8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H21N3O4 — CID 115949458

IUPAC8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)OCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H21N3O4/c1-12(2,3)20-8-9(17)16-6-4-13(5-7-16)10(18)14-11(19)15-13/h4-8H2,1-3H3,(H2,14,15,18,19)
InChIKeyPEXFYNJLRZFAJH-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.00
Rot. Bonds2

About 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 115949458) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID115949458
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)OCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H21N3O4/c1-12(2,3)20-8-9(17)16-6-4-13(5-7-16)10(18)14-11(19)15-13/h4-8H2,1-3H3,(H2,14,15,18,19)
InChIKeyPEXFYNJLRZFAJH-UHFFFAOYSA-N
XLogP0.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 102655908
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 113239192
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
8-[4-(4-fluorophenoxy)butanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56807566
8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56807611
8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81171740
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxamide
CID 106151836
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 115949458) is 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)(C)OCC(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PEXFYNJLRZFAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-12(2,3)20-8-9(17)16-6-4-13(5-7-16)10(18)14-11(19)15-13/h4-8H2,1-3H3,(H2,14,15,18,19).
What are the key properties of 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 115949458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).