N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H19F3N2O2 — CID 113278483

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)(CCO)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-9(2,3-4-16)6-15-8(17)5-14-7-10(11,12)13/h14,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyRWHUBZONCNQKEJ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.66
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113278483) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113278483
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)(CCO)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-9(2,3-4-16)6-15-8(17)5-14-7-10(11,12)13/h14,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyRWHUBZONCNQKEJ-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

2-(tert-butylamino)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825116
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
CID 106146940
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
CID 154969198
2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 118369505
2-anilino-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106148046
N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 106147925
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
2-(cyclopropylmethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148251

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 113278483) is N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)(CCO)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RWHUBZONCNQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-9(2,3-4-16)6-15-8(17)5-14-7-10(11,12)13/h14,16H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)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 N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113278483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).