2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C14H20F3N3O3 — CID 2583584

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCC(F)(F)F
InChIInChI=1S/C14H20F3N3O3/c15-14(16,17)9-18-10(21)8-20-11(22)13(19-12(20)23)6-4-2-1-3-5-7-13/h1-9H2,(H,18,21)(H,19,23)
InChIKeyOQIBRIYXJJSXOX-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.70
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2583584) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2583584
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCC(F)(F)F
InChIInChI=1S/C14H20F3N3O3/c15-14(16,17)9-18-10(21)8-20-11(22)13(19-12(20)23)6-4-2-1-3-5-7-13/h1-9H2,(H,18,21)(H,19,23)
InChIKeyOQIBRIYXJJSXOX-UHFFFAOYSA-N
XLogP1.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide 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 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 2583584) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OQIBRIYXJJSXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c15-14(16,17)9-18-10(21)8-20-11(22)13(19-12(20)23)6-4-2-1-3-5-7-13/h1-9H2,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 335.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2583584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).