N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H23F3N2O — CID 78914869

IUPACN,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-9(2)6-17(7-10(3)4)11(18)5-16-8-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyKIFDZTDWGNJUSI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.28
Rot. Bonds7

About N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914869) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914869
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-9(2)6-17(7-10(3)4)11(18)5-16-8-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyKIFDZTDWGNJUSI-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914869) is N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)CN(CC(C)C)C(=O)CNCC(F)(F)F.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KIFDZTDWGNJUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(2)6-17(7-10(3)4)11(18)5-16-8-12(13,14)15/h9-10,16H,5-8H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).