2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H12F3N3O4 — CID 103730623

IUPAC2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCC(O)C(F)(F)F)C1=O
InChIInChI=1S/C9H12F3N3O4/c1-14-4-7(18)15(8(14)19)3-6(17)13-2-5(16)9(10,11)12/h5,16H,2-4H2,1H3,(H,13,17)
InChIKeyOIDOAVRXFRIMJP-UHFFFAOYSA-N
MW283.21 g/mol
LogP-1.08
Rot. Bonds4

About 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103730623) has the molecular formula C9H12F3N3O4 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103730623
Molecular FormulaC9H12F3N3O4
Molecular Weight283.21 g/mol
Exact Mass283.08
IUPAC Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCC(O)C(F)(F)F)C1=O
InChIInChI=1S/C9H12F3N3O4/c1-14-4-7(18)15(8(14)19)3-6(17)13-2-5(16)9(10,11)12/h5,16H,2-4H2,1H3,(H,13,17)
InChIKeyOIDOAVRXFRIMJP-UHFFFAOYSA-N
XLogP-1.08
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 5-1.08
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-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103730623) is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CN1CC(=O)N(CC(=O)NCC(O)C(F)(F)F)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is OIDOAVRXFRIMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O4/c1-14-4-7(18)15(8(14)19)3-6(17)13-2-5(16)9(10,11)12/h5,16H,2-4H2,1H3,(H,13,17).
What are the key properties of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 283.21 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103730623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).