N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H17F3N2O — CID 78958378

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CC=CCC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-15-7-10(17)16-6-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2,(H,16,17)
InChIKeyWUDRELBMCMVVPD-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.61
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958378) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958378
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CC=CCC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-15-7-10(17)16-6-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2,(H,16,17)
InChIKeyWUDRELBMCMVVPD-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-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-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958378) is N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WUDRELBMCMVVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)8-15-7-10(17)16-6-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2,(H,16,17).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).