N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide

C21H23N3O4 — CID 16894920

IUPACN-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H23N3O4/c25-19(24-11-12-28-18(15-24)17-9-5-2-6-10-17)14-23-21(27)20(26)22-13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,26)(H,23,27)
InChIKeyUAYPYXDRVBSMPF-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.02
Rot. Bonds5

About N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide

N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide (PubChem CID 16894920) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
PubChem CID16894920
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H23N3O4/c25-19(24-11-12-28-18(15-24)17-9-5-2-6-10-17)14-23-21(27)20(26)22-13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,26)(H,23,27)
InChIKeyUAYPYXDRVBSMPF-UHFFFAOYSA-N
XLogP1.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.02
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-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The IUPAC name of N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide (CID 16894920) is N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The canonical SMILES for N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide is O=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The InChIKey is UAYPYXDRVBSMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-19(24-11-12-28-18(15-24)17-9-5-2-6-10-17)14-23-21(27)20(26)22-13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,26)(H,23,27).
What are the key properties of N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide has a molecular weight of 381.43 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide is sourced from PubChem (CID 16894920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).