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

C10H18F3N3O2 — CID 64678137

IUPAC3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CC(C)(C)N
InChIInChI=1S/C10H18F3N3O2/c1-9(2,14)4-8(18)16(3)5-7(17)15-6-10(11,12)13/h4-6,14H2,1-3H3,(H,15,17)
InChIKeyNNSPPAXLSTWEBD-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.25
Rot. Bonds5

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

3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide (PubChem CID 64678137) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
PubChem CID64678137
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CC(C)(C)N
InChIInChI=1S/C10H18F3N3O2/c1-9(2,14)4-8(18)16(3)5-7(17)15-6-10(11,12)13/h4-6,14H2,1-3H3,(H,15,17)
InChIKeyNNSPPAXLSTWEBD-UHFFFAOYSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide (CID 64678137) is 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide is CN(CC(=O)NCC(F)(F)F)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The InChIKey is NNSPPAXLSTWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-9(2,14)4-8(18)16(3)5-7(17)15-6-10(11,12)13/h4-6,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide has a molecular weight of 269.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide is sourced from PubChem (CID 64678137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).