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

C9H15F3N2O3 — CID 164605014

IUPAC2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-5(17-4-9(10,11)12)7(8(16)13-3)14-6(2)15/h5,7H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyKZVAQQZGQBTSJQ-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.20
Rot. Bonds5

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

2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 164605014) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide
PubChem CID164605014
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-5(17-4-9(10,11)12)7(8(16)13-3)14-6(2)15/h5,7H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyKZVAQQZGQBTSJQ-UHFFFAOYSA-N
XLogP0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.20
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?
The IUPAC name of 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide (CID 164605014) is 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide is 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?
The InChIKey is KZVAQQZGQBTSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-5(17-4-9(10,11)12)7(8(16)13-3)14-6(2)15/h5,7H,4H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide?
2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 256.22 g/mol, XLogP of 0.20, 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 is sourced from PubChem (CID 164605014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).