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

C11H14F3N3O3 — CID 4876726

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NCC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)6-15-7(18)5-17-8(19)10(16-9(17)20)3-1-2-4-10/h1-6H2,(H,15,18)(H,16,20)
InChIKeyNUBRQIRKDNMSJC-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.53
Rot. Bonds3

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

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 4876726) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID4876726
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NCC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)6-15-7(18)5-17-8(19)10(16-9(17)20)3-1-2-4-10/h1-6H2,(H,15,18)(H,16,20)
InChIKeyNUBRQIRKDNMSJC-UHFFFAOYSA-N
XLogP0.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 4876726) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NUBRQIRKDNMSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)6-15-7(18)5-17-8(19)10(16-9(17)20)3-1-2-4-10/h1-6H2,(H,15,18)(H,16,20).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.25 g/mol, XLogP of 0.53, 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[4.4]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 4876726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).