5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide

C11H17F3N2O4 — CID 58978847

IUPAC5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
SMILESCCC1OC(C(=O)NCCNC(=O)C(F)(F)F)CC1O
InChIInChI=1S/C11H17F3N2O4/c1-2-7-6(17)5-8(20-7)9(18)15-3-4-16-10(19)11(12,13)14/h6-8,17H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyDDHREYHPEFQGSL-UHFFFAOYSA-N
MW298.26 g/mol
LogP-0.29
Rot. Bonds5

About 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide

5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 58978847) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
PubChem CID58978847
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
SMILESCCC1OC(C(=O)NCCNC(=O)C(F)(F)F)CC1O
InChIInChI=1S/C11H17F3N2O4/c1-2-7-6(17)5-8(20-7)9(18)15-3-4-16-10(19)11(12,13)14/h6-8,17H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyDDHREYHPEFQGSL-UHFFFAOYSA-N
XLogP-0.29
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide (CID 58978847) is 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide is CCC1OC(C(=O)NCCNC(=O)C(F)(F)F)CC1O.
What is the InChIKey of 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is DDHREYHPEFQGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-2-7-6(17)5-8(20-7)9(18)15-3-4-16-10(19)11(12,13)14/h6-8,17H,2-5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 298.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 58978847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).