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

C22H26FN3O3 — CID 18589278

IUPACN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H26FN3O3/c23-19-8-6-18(7-9-19)20(26-12-14-29-15-13-26)16-25-22(28)21(27)24-11-10-17-4-2-1-3-5-17/h1-9,20H,10-16H2,(H,24,27)(H,25,28)
InChIKeyCYFRIYDHUKNMSK-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.67
Rot. Bonds7

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

N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide (PubChem CID 18589278) 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-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
PubChem CID18589278
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H26FN3O3/c23-19-8-6-18(7-9-19)20(26-12-14-29-15-13-26)16-25-22(28)21(27)24-11-10-17-4-2-1-3-5-17/h1-9,20H,10-16H2,(H,24,27)(H,25,28)
InChIKeyCYFRIYDHUKNMSK-UHFFFAOYSA-N
XLogP1.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide (CID 18589278) is N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide?
The InChIKey is CYFRIYDHUKNMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-19-8-6-18(7-9-19)20(26-12-14-29-15-13-26)16-25-22(28)21(27)24-11-10-17-4-2-1-3-5-17/h1-9,20H,10-16H2,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide?
N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide has a molecular weight of 399.47 g/mol, XLogP of 1.67, 7 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-(2-phenylethyl)oxamide is sourced from PubChem (CID 18589278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).