2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O2 — CID 115698232

IUPAC2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=C(C)COCCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(2)6-18-5-4-15-9(3)10(17)16-7-11(12,13)14/h9,15H,1,4-7H2,2-3H3,(H,16,17)
InChIKeyANDXCSAGIWLZGK-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.24
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115698232) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115698232
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=C(C)COCCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(2)6-18-5-4-15-9(3)10(17)16-7-11(12,13)14/h9,15H,1,4-7H2,2-3H3,(H,16,17)
InChIKeyANDXCSAGIWLZGK-UHFFFAOYSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115698232) is 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is C=C(C)COCCNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ANDXCSAGIWLZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)6-18-5-4-15-9(3)10(17)16-7-11(12,13)14/h9,15H,1,4-7H2,2-3H3,(H,16,17).
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115698232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).