2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide

C10H19F3N2O2 — CID 134349745

IUPAC2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
SMILESCC(C)CNC(=O)C(O)C(C)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-6(2)4-14-9(17)8(16)7(3)15-5-10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17)
InChIKeyWYTOQYCFLLHLSH-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.66
Rot. Bonds6

About 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide

2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide (PubChem CID 134349745) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
PubChem CID134349745
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
SMILESCC(C)CNC(=O)C(O)C(C)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-6(2)4-14-9(17)8(16)7(3)15-5-10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17)
InChIKeyWYTOQYCFLLHLSH-UHFFFAOYSA-N
XLogP0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 57208486
3-amino-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide
CID 59519616
3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide
CID 70857107
N-cyclopropyl-3-(ethylamino)-5,5-difluoro-2-hydroxypentanamide
CID 70871182
(2S,3S)-3-Amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
N-cyclopropyl-5,5-difluoro-2-hydroxy-3-(methylamino)pentanamide
CID 89671888
4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
CID 123231332
N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide
CID 123480623
4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
CID 123716398
N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide
CID 134349445
3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide
CID 134349474
N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide
CID 134349634

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide?
The IUPAC name of 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide (CID 134349745) is 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide.
What is the SMILES notation for 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide?
The canonical SMILES for 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide is CC(C)CNC(=O)C(O)C(C)NCC(F)(F)F.
What is the InChIKey of 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide?
The InChIKey is WYTOQYCFLLHLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-6(2)4-14-9(17)8(16)7(3)15-5-10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide?
2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide has a molecular weight of 256.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide is sourced from PubChem (CID 134349745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).