N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide

C22H26FN3O3 — CID 18589258

IUPACN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-16-2-4-17(5-3-16)14-24-21(27)22(28)25-15-20(26-10-12-29-13-11-26)18-6-8-19(23)9-7-18/h2-9,20H,10-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyOBFVLQPACMBJCV-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.94
Rot. Bonds6

About N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide

N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 18589258) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID18589258
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-16-2-4-17(5-3-16)14-24-21(27)22(28)25-15-20(26-10-12-29-13-11-26)18-6-8-19(23)9-7-18/h2-9,20H,10-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyOBFVLQPACMBJCV-UHFFFAOYSA-N
XLogP1.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]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-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (CID 18589258) is N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is OBFVLQPACMBJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-16-2-4-17(5-3-16)14-24-21(27)22(28)25-15-20(26-10-12-29-13-11-26)18-6-8-19(23)9-7-18/h2-9,20H,10-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 399.47 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 18589258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).