N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide

C12H21F3N2O2 — CID 130237025

IUPACN-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCCN(CC(F)(F)F)C(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C12H21F3N2O2/c1-5-17(8-12(13,14)15)10(19)7-16-9(18)6-11(2,3)4/h5-8H2,1-4H3,(H,16,18)
InChIKeyJCKZGZFZTVXHAZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.95
Rot. Bonds5

About N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 130237025) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID130237025
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCCN(CC(F)(F)F)C(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C12H21F3N2O2/c1-5-17(8-12(13,14)15)10(19)7-16-9(18)6-11(2,3)4/h5-8H2,1-4H3,(H,16,18)
InChIKeyJCKZGZFZTVXHAZ-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 130237025) is N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide is CCN(CC(F)(F)F)C(=O)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is JCKZGZFZTVXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-5-17(8-12(13,14)15)10(19)7-16-9(18)6-11(2,3)4/h5-8H2,1-4H3,(H,16,18).
What are the key properties of N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 282.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 130237025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).