2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O3 — CID 104704812

IUPAC2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC1(CNC(C)C(=O)NCC(F)(F)F)CCOC1
InChIInChI=1S/C11H19F3N2O3/c1-8(9(17)16-6-11(12,13)14)15-5-10(18-2)3-4-19-7-10/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyIIAPCWDIPUCZOP-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.45
Rot. Bonds6

About 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 104704812) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID104704812
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC1(CNC(C)C(=O)NCC(F)(F)F)CCOC1
InChIInChI=1S/C11H19F3N2O3/c1-8(9(17)16-6-11(12,13)14)15-5-10(18-2)3-4-19-7-10/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyIIAPCWDIPUCZOP-UHFFFAOYSA-N
XLogP0.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 104704812) is 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is COC1(CNC(C)C(=O)NCC(F)(F)F)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IIAPCWDIPUCZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(9(17)16-6-11(12,13)14)15-5-10(18-2)3-4-19-7-10/h8,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 104704812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).