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

C21H25N3O3 — CID 16891636

IUPACN'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H25N3O3/c25-20(21(26)23-16-18-4-2-1-3-5-18)22-11-10-17-6-8-19(9-7-17)24-12-14-27-15-13-24/h1-9H,10-16H2,(H,22,25)(H,23,26)
InChIKeyMOYFRZIHEDVNRG-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.50
Rot. Bonds6

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

N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (PubChem CID 16891636) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
PubChem CID16891636
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H25N3O3/c25-20(21(26)23-16-18-4-2-1-3-5-18)22-11-10-17-6-8-19(9-7-17)24-12-14-27-15-13-24/h1-9H,10-16H2,(H,22,25)(H,23,26)
InChIKeyMOYFRZIHEDVNRG-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.50
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'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891637
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008
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
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8530762
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N'-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-N-(2-phenylethyl)oxamide
CID 16891263

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (CID 16891636) is N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is O=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The InChIKey is MOYFRZIHEDVNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(21(26)23-16-18-4-2-1-3-5-18)22-11-10-17-6-8-19(9-7-17)24-12-14-27-15-13-24/h1-9H,10-16H2,(H,22,25)(H,23,26).
What are the key properties of N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide has a molecular weight of 367.45 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16891636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).