2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C11H21F3N2O2 — CID 106175113

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(C)(CCO)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-10(3,5-6-17)16-8(2)9(18)15-7-11(12,13)14/h8,16-17H,4-7H2,1-3H3,(H,15,18)
InChIKeyTUXZHBZAAMVMNH-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.19
Rot. Bonds7

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106175113) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106175113
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(C)(CCO)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-10(3,5-6-17)16-8(2)9(18)15-7-11(12,13)14/h8,16-17H,4-7H2,1-3H3,(H,15,18)
InChIKeyTUXZHBZAAMVMNH-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106175113) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CCC(C)(CCO)NC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is TUXZHBZAAMVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-4-10(3,5-6-17)16-8(2)9(18)15-7-11(12,13)14/h8,16-17H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 270.30 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106175113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).