N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H19F3N2O2 — CID 103713166

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

About N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103713166) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103713166
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCCC(C)(O)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-4-9(2,17)6-15-8(16)5-14-7-10(11,12)13/h14,17H,3-7H2,1-2H3,(H,15,16)
InChIKeyQNLNYDAHYLJXGC-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

N1-((1-hydroxycyclopentyl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754576
2-[(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64059071
2-[(1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64059072
2-[(2-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65106159
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
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65116484
2-(3-ethyl-3-hydroxyazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65930521
2-(3-hydroxy-3-propylazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65943782
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66174657
2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66179672
4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide
CID 66180086

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 103713166) is N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCCC(C)(O)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QNLNYDAHYLJXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-4-9(2,17)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-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-hydroxy-2-methylpentyl)-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-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103713166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).