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

C12H23F3N2O2 — CID 106255823

IUPAC2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)(CO)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-11(5-2,8-18)6-16-9(3)10(19)17-7-12(13,14)15/h9,16,18H,4-8H2,1-3H3,(H,17,19)
InChIKeyNHPYYUKYLXGQKO-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.44
Rot. Bonds8

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

2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106255823) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106255823
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)(CO)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-11(5-2,8-18)6-16-9(3)10(19)17-7-12(13,14)15/h9,16,18H,4-8H2,1-3H3,(H,17,19)
InChIKeyNHPYYUKYLXGQKO-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.44
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)propanamide?
The IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106255823) is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CCC(CC)(CO)CNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NHPYYUKYLXGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-11(5-2,8-18)6-16-9(3)10(19)17-7-12(13,14)15/h9,16,18H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.44, 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)propanamide is sourced from PubChem (CID 106255823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).