N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O2 — CID 79261094

IUPACN-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=COCCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-2-16-5-3-4-14-8(15)6-13-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15)
InChIKeyLXZJFXCFMMIPAD-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.80
Rot. Bonds8

About N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261094) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261094
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=COCCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-2-16-5-3-4-14-8(15)6-13-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15)
InChIKeyLXZJFXCFMMIPAD-UHFFFAOYSA-N
XLogP0.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide 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 N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261094) is N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is C=COCCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LXZJFXCFMMIPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-16-5-3-4-14-8(15)6-13-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15).
What are the key properties of N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).