N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C12H21F3N2O2 — CID 176828308

IUPACN,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCCN(CC)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H21F3N2O2/c1-6-17(7-2)9(18)8(11(3,4)5)16-10(19)12(13,14)15/h8H,6-7H2,1-5H3,(H,16,19)
InChIKeyXLSSKQZVWIJSQB-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.95
Rot. Bonds4

About N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 176828308) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound NameN,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID176828308
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCCN(CC)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H21F3N2O2/c1-6-17(7-2)9(18)8(11(3,4)5)16-10(19)12(13,14)15/h8H,6-7H2,1-5H3,(H,16,19)
InChIKeyXLSSKQZVWIJSQB-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 176828308) is N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CCN(CC)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is XLSSKQZVWIJSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-6-17(7-2)9(18)8(11(3,4)5)16-10(19)12(13,14)15/h8H,6-7H2,1-5H3,(H,16,19).
What are the key properties of N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 176828308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).