3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide

C9H16F3N3O2 — CID 54871535

IUPAC3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
SMILESCC(N)CC(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-6(13)3-8(17)15(2)4-7(16)14-5-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyZZZBXJOXLGSDES-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.14
Rot. Bonds5

About 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide

3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide (PubChem CID 54871535) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
PubChem CID54871535
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
SMILESCC(N)CC(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-6(13)3-8(17)15(2)4-7(16)14-5-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyZZZBXJOXLGSDES-UHFFFAOYSA-N
XLogP-0.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide (CID 54871535) is 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide is CC(N)CC(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The InChIKey is ZZZBXJOXLGSDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-6(13)3-8(17)15(2)4-7(16)14-5-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide has a molecular weight of 255.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide is sourced from PubChem (CID 54871535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).