2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C14H20F3N3O3 — CID 87022857

IUPAC2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C14H20F3N3O3/c1-9(2)5-18(8-14(15,16)17)11(21)6-20-12(22)7-19(13(20)23)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyDXRNADDUOFHNJG-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.46
Rot. Bonds6

About 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 87022857) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID87022857
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C14H20F3N3O3/c1-9(2)5-18(8-14(15,16)17)11(21)6-20-12(22)7-19(13(20)23)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyDXRNADDUOFHNJG-UHFFFAOYSA-N
XLogP1.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
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-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 87022857) is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)CN(C2CC2)C1=O.
What is the InChIKey of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DXRNADDUOFHNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-9(2)5-18(8-14(15,16)17)11(21)6-20-12(22)7-19(13(20)23)10-3-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 335.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 87022857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).