N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide

C21H24ClN3O3 — CID 16891703

IUPACN'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c22-19-4-2-1-3-17(19)15-24-21(27)20(26)23-10-9-16-5-7-18(8-6-16)25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,26)(H,24,27)
InChIKeyUAUMJIJILKGZRO-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.15
Rot. Bonds6

About N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide

N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (PubChem CID 16891703) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
PubChem CID16891703
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c22-19-4-2-1-3-17(19)15-24-21(27)20(26)23-10-9-16-5-7-18(8-6-16)25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,26)(H,24,27)
InChIKeyUAUMJIJILKGZRO-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-[2-(4-chlorophenyl)ethyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 18588832
1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890659
N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891698
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
3-(2-chlorophenyl)-5-methyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 16889576
N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891637
N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892183
N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16892165
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
CID 110405022

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (CID 16891703) is N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is O=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The InChIKey is UAUMJIJILKGZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-19-4-2-1-3-17(19)15-24-21(27)20(26)23-10-9-16-5-7-18(8-6-16)25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,26)(H,24,27).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide has a molecular weight of 401.89 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16891703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).