2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide

C10H19F3N2O2 — CID 54874836

IUPAC2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC(C)C(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-7(2)8(14)9(17)15(4-5-16)6-10(11,12)13/h7-8,16H,3-6,14H2,1-2H3
InChIKeyUPAFOUMSNQDTJU-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.74
Rot. Bonds6

About 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide

2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54874836) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54874836
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC(C)C(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-7(2)8(14)9(17)15(4-5-16)6-10(11,12)13/h7-8,16H,3-6,14H2,1-2H3
InChIKeyUPAFOUMSNQDTJU-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 54874836) is 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CCC(C)C(N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is UPAFOUMSNQDTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-7(2)8(14)9(17)15(4-5-16)6-10(11,12)13/h7-8,16H,3-6,14H2,1-2H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 256.27 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54874836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).