4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide

C10H14F3N3O4 — CID 81339845

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NOCC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O4/c1-15-5-8(18)16(9(15)19)4-2-3-7(17)14-20-6-10(11,12)13/h2-6H2,1H3,(H,14,17)
InChIKeyMVDDMSXZIFDLIP-UHFFFAOYSA-N
MW297.23 g/mol
LogP0.27
Rot. Bonds6

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 81339845) has the molecular formula C10H14F3N3O4 and a molecular weight of 297.23 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide
PubChem CID81339845
Molecular FormulaC10H14F3N3O4
Molecular Weight297.23 g/mol
Exact Mass297.09
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NOCC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O4/c1-15-5-8(18)16(9(15)19)4-2-3-7(17)14-20-6-10(11,12)13/h2-6H2,1H3,(H,14,17)
InChIKeyMVDDMSXZIFDLIP-UHFFFAOYSA-N
XLogP0.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide (CID 81339845) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide is CN1CC(=O)N(CCCC(=O)NOCC(F)(F)F)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is MVDDMSXZIFDLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O4/c1-15-5-8(18)16(9(15)19)4-2-3-7(17)14-20-6-10(11,12)13/h2-6H2,1H3,(H,14,17).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 297.23 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 81339845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).