2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 54961948

IUPAC2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CC(CO)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-7(2)3-8(5-16)14-4-9(17)15-6-10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyMWPGWQDSNGOAQW-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.66
Rot. Bonds7

About 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54961948) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54961948
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CC(CO)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-7(2)3-8(5-16)14-4-9(17)15-6-10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyMWPGWQDSNGOAQW-UHFFFAOYSA-N
XLogP0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 25759525
CID 53833043
CID 53833043
2,2,2-trifluoro-N-[(2s,3s)-1-hydroxy-3-methylpentan-2-yl]-acetamide
CID 129774022
N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide
CID 11149631
Ethanediamide, N,N'-bis[1-(hydroxymethyl)-2-methylpropyl]-
CID 11097312
N,N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]oxamide
CID 87652155
N-cyclopentyl-2-[[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]amino]acetamide
CID 95772635
(2S)-3-methyl-2-(3-methylbutanoylamino)-N-[(2S)-4,4,4-trifluoro-1-[[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]amino]-1-oxobutan-2-yl]butanamide
CID 58057431
(2S)-4,4-difluoro-N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]pentanamide
CID 58057447
(2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide
CID 59879205
(2S)-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide
CID 60077454
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54961948) is 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CC(CO)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MWPGWQDSNGOAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-7(2)3-8(5-16)14-4-9(17)15-6-10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54961948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).