N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H19F3N2O2 — CID 79038911

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(O)(CC)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(17,4-2)6-15-8(16)5-14-7-10(11,12)13/h14,17H,3-7H2,1-2H3,(H,15,16)
InChIKeyTVXVSZIBLKIUMO-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.81
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79038911) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79038911
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(O)(CC)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(17,4-2)6-15-8(16)5-14-7-10(11,12)13/h14,17H,3-7H2,1-2H3,(H,15,16)
InChIKeyTVXVSZIBLKIUMO-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62517442
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63102602
2-[(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64059071
2-[(2-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65106159
N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide
CID 65111004
2-[(1-hydroxycyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65111460
2-[(2-ethyl-2-hydroxybutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65111596
N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide
CID 65112212
N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutanamide
CID 65711379
2-(3-ethyl-3-hydroxyazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65930521
2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65938648
2-(3-hydroxy-3-propylazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65943782

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79038911) is N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCC(O)(CC)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is TVXVSZIBLKIUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-9(17,4-2)6-15-8(16)5-14-7-10(11,12)13/h14,17H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79038911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).