2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H21F3N2O2 — CID 114164966

IUPAC2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)(CO)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-10(4-2,8-17)6-15-5-9(18)16-7-11(12,13)14/h15,17H,3-8H2,1-2H3,(H,16,18)
InChIKeyNHFHJCLNMXPCID-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.05
Rot. Bonds8

About 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114164966) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114164966
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)(CO)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-10(4-2,8-17)6-15-5-9(18)16-7-11(12,13)14/h15,17H,3-8H2,1-2H3,(H,16,18)
InChIKeyNHFHJCLNMXPCID-UHFFFAOYSA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 114164966) is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)(CO)CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NHFHJCLNMXPCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-10(4-2,8-17)6-15-5-9(18)16-7-11(12,13)14/h15,17H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114164966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).