N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

C17H23F3N2O2 — CID 56863650

IUPACN-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O2/c1-2-22(12-14-6-4-3-5-7-14)16(23)8-9-21-10-11-24-15(13-21)17(18,19)20/h3-7,15H,2,8-13H2,1H3
InChIKeyJORHHLYCVNMJOO-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.69
Rot. Bonds6

About N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (PubChem CID 56863650) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
PubChem CID56863650
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O2/c1-2-22(12-14-6-4-3-5-7-14)16(23)8-9-21-10-11-24-15(13-21)17(18,19)20/h3-7,15H,2,8-13H2,1H3
InChIKeyJORHHLYCVNMJOO-UHFFFAOYSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]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 N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (CID 56863650) is N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is CCN(Cc1ccccc1)C(=O)CCN1CCOC(C(F)(F)F)C1.
What is the InChIKey of N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The InChIKey is JORHHLYCVNMJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-2-22(12-14-6-4-3-5-7-14)16(23)8-9-21-10-11-24-15(13-21)17(18,19)20/h3-7,15H,2,8-13H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 56863650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).