2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N3O — CID 54939964

IUPAC2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CCC#N)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-9(2)6-17(5-3-4-15)7-10(18)16-8-11(12,13)14/h9H,3,5-8H2,1-2H3,(H,16,18)
InChIKeyFFAXBHHLYCOEIU-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.54
Rot. Bonds7

About 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54939964) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54939964
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CCC#N)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-9(2)6-17(5-3-4-15)7-10(18)16-8-11(12,13)14/h9H,3,5-8H2,1-2H3,(H,16,18)
InChIKeyFFAXBHHLYCOEIU-UHFFFAOYSA-N
XLogP1.54
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54939964) is 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CCC#N)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FFAXBHHLYCOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-9(2)6-17(5-3-4-15)7-10(18)16-8-11(12,13)14/h9H,3,5-8H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.28 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54939964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).