N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O2 — CID 115770752

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(CO)C(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(4-15)7(2)14-8(16)3-13-5-9(10,11)12/h6-7,13,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyYTJBWKVKJAIDLW-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.27
Rot. Bonds6

About N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115770752) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115770752
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(CO)C(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(4-15)7(2)14-8(16)3-13-5-9(10,11)12/h6-7,13,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyYTJBWKVKJAIDLW-UHFFFAOYSA-N
XLogP0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107218513
methyl 3-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoate
CID 78914945
(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79260755
N-[(1R)-1-cyclopentylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81389110
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79005691
N-(1-piperidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958032
N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260585
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958094
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 115869500

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 115770752) is N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(CO)C(C)NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is YTJBWKVKJAIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(4-15)7(2)14-8(16)3-13-5-9(10,11)12/h6-7,13,15H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115770752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).