4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide

C11H18F3N3O3 — CID 66250638

IUPAC4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C11H18F3N3O3/c1-10(6-20-4-7(10)15)9(19)17(2)3-8(18)16-5-11(12,13)14/h7H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyNWSVIAVUUJCFGB-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.51
Rot. Bonds4

About 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide

4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide (PubChem CID 66250638) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
PubChem CID66250638
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C11H18F3N3O3/c1-10(6-20-4-7(10)15)9(19)17(2)3-8(18)16-5-11(12,13)14/h7H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyNWSVIAVUUJCFGB-UHFFFAOYSA-N
XLogP-0.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide (CID 66250638) is 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The InChIKey is NWSVIAVUUJCFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-10(6-20-4-7(10)15)9(19)17(2)3-8(18)16-5-11(12,13)14/h7H,3-6,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide has a molecular weight of 297.28 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66250638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).