3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide

C13H20F3N3O3 — CID 45105963

IUPAC3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(CC(C)C)C1=O
InChIInChI=1S/C13H20F3N3O3/c1-7(2)5-9(20)17-12(13(14,15)16)10(21)19(6-8(3)4)11(22)18-12/h7-8H,5-6H2,1-4H3,(H,17,20)(H,18,22)
InChIKeyXRSYWQCTLJGWEQ-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.62
Rot. Bonds5

About 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide

3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide (PubChem CID 45105963) has the molecular formula C13H20F3N3O3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
PubChem CID45105963
Molecular FormulaC13H20F3N3O3
Molecular Weight323.32 g/mol
Exact Mass323.15
IUPAC Name3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(CC(C)C)C1=O
InChIInChI=1S/C13H20F3N3O3/c1-7(2)5-9(20)17-12(13(14,15)16)10(21)19(6-8(3)4)11(22)18-12/h7-8H,5-6H2,1-4H3,(H,17,20)(H,18,22)
InChIKeyXRSYWQCTLJGWEQ-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.62
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 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide (CID 45105963) is 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide is CC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(CC(C)C)C1=O.
What is the InChIKey of 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide?
The InChIKey is XRSYWQCTLJGWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O3/c1-7(2)5-9(20)17-12(13(14,15)16)10(21)19(6-8(3)4)11(22)18-12/h7-8H,5-6H2,1-4H3,(H,17,20)(H,18,22).
What are the key properties of 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide?
3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide has a molecular weight of 323.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide is sourced from PubChem (CID 45105963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).