2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane

C11H21F3N2O3 — CID 170755651

IUPAC2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane
SMILESCC.CNC(=O)C(NC(C)=O)C(C)OCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3.C2H6/c1-5(17-4-9(10,11)12)7(8(16)13-3)14-6(2)15;1-2/h5,7H,4H2,1-3H3,(H,13,16)(H,14,15);1-2H3
InChIKeySQEWPGIJXAQCPE-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.23
Rot. Bonds5

About 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane

2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane (PubChem CID 170755651) has the molecular formula C11H21F3N2O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane.

Molecular Properties

Compound Name2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane
PubChem CID170755651
Molecular FormulaC11H21F3N2O3
Molecular Weight286.29 g/mol
Exact Mass286.15
IUPAC Name2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane
SMILESCC.CNC(=O)C(NC(C)=O)C(C)OCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3.C2H6/c1-5(17-4-9(10,11)12)7(8(16)13-3)14-6(2)15;1-2/h5,7H,4H2,1-3H3,(H,13,16)(H,14,15);1-2H3
InChIKeySQEWPGIJXAQCPE-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane?
The IUPAC name of 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane (CID 170755651) is 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane.
What is the SMILES notation for 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane?
The canonical SMILES for 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane is CC.CNC(=O)C(NC(C)=O)C(C)OCC(F)(F)F.
What is the InChIKey of 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane?
The InChIKey is SQEWPGIJXAQCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3.C2H6/c1-5(17-4-9(10,11)12)7(8(16)13-3)14-6(2)15;1-2/h5,7H,4H2,1-3H3,(H,13,16)(H,14,15);1-2H3.
What are the key properties of 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane?
2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane has a molecular weight of 286.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane is sourced from PubChem (CID 170755651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).