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

C11H21F3N2O2 — CID 113331556

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

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

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113331556) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113331556
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(CC)(CO)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-10(4-2,8-17)6-16-9(18)5-15-7-11(12,13)14/h15,17H,3-8H2,1-2H3,(H,16,18)
InChIKeyUXCNIXQQSVJFRQ-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 N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113331556) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide is CCC(CC)(CO)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UXCNIXQQSVJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-10(4-2,8-17)6-16-9(18)5-15-7-11(12,13)14/h15,17H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)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 N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113331556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).