4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide

C12H20F3N3O3 — CID 66258496

IUPAC4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C12H20F3N3O3/c1-3-16-9-6-21-5-8(9)11(20)18(2)4-10(19)17-7-12(13,14)15/h8-9,16H,3-7H2,1-2H3,(H,17,19)
InChIKeyADXRGFIBOMDVCE-UHFFFAOYSA-N
MW311.30 g/mol
LogP-0.25
Rot. Bonds6

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

4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide (PubChem CID 66258496) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
PubChem CID66258496
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C12H20F3N3O3/c1-3-16-9-6-21-5-8(9)11(20)18(2)4-10(19)17-7-12(13,14)15/h8-9,16H,3-7H2,1-2H3,(H,17,19)
InChIKeyADXRGFIBOMDVCE-UHFFFAOYSA-N
XLogP-0.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide (CID 66258496) is 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The InChIKey is ADXRGFIBOMDVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-3-16-9-6-21-5-8(9)11(20)18(2)4-10(19)17-7-12(13,14)15/h8-9,16H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66258496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).