N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C21H22F3N3O3 — CID 16892976

IUPACN-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H22F3N3O3/c22-21(23,24)16-6-8-17(9-7-16)26-20(29)19(28)25-10-11-27-12-13-30-18(14-27)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,25,28)(H,26,29)
InChIKeyDVRFKBWCBWIMLK-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.83
Rot. Bonds5

About N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 16892976) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID16892976
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC NameN-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H22F3N3O3/c22-21(23,24)16-6-8-17(9-7-16)26-20(29)19(28)25-10-11-27-12-13-30-18(14-27)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,25,28)(H,26,29)
InChIKeyDVRFKBWCBWIMLK-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide 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-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 16892976) is N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is DVRFKBWCBWIMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c22-21(23,24)16-6-8-17(9-7-16)26-20(29)19(28)25-10-11-27-12-13-30-18(14-27)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 421.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylmorpholin-4-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 16892976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).