N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide

C9H17F3N2O2 — CID 60953849

IUPACN-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCNCCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-13-4-2-3-8(16)14(5-6-15)7-9(10,11)12/h13,15H,2-7H2,1H3
InChIKeyXRZTVUDRHUVTQQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.37
Rot. Bonds7

About N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide

N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60953849) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60953849
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCNCCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-13-4-2-3-8(16)14(5-6-15)7-9(10,11)12/h13,15H,2-7H2,1H3
InChIKeyXRZTVUDRHUVTQQ-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide (CID 60953849) is N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide is CNCCCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is XRZTVUDRHUVTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-13-4-2-3-8(16)14(5-6-15)7-9(10,11)12/h13,15H,2-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60953849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).