2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide

C11H21F3N2O2 — CID 114164700

IUPAC2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCC(CC)(CO)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-10(5-2,7-17)6-16-8(18)9(3,15)11(12,13)14/h17H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyMRTDHNGFTFWLOD-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.18
Rot. Bonds6

About 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 114164700) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID114164700
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCC(CC)(CO)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-10(5-2,7-17)6-16-8(18)9(3,15)11(12,13)14/h17H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyMRTDHNGFTFWLOD-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide (CID 114164700) is 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide is CCC(CC)(CO)CNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is MRTDHNGFTFWLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-4-10(5-2,7-17)6-16-8(18)9(3,15)11(12,13)14/h17H,4-7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 270.29 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 114164700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).