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

C21H25N3O4 — CID 16891641

IUPACN'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-19-8-4-17(5-9-19)23-21(26)20(25)22-11-10-16-2-6-18(7-3-16)24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyPYRBRFOUGMLBIJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.83
Rot. Bonds6

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

N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (PubChem CID 16891641) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
PubChem CID16891641
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-19-8-4-17(5-9-19)23-21(26)20(25)22-11-10-16-2-6-18(7-3-16)24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyPYRBRFOUGMLBIJ-UHFFFAOYSA-N
XLogP1.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260
N'-(2,4-dimethoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892164
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127311

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (CID 16891641) is N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is COc1ccc(NC(=O)C(=O)NCCc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The InChIKey is PYRBRFOUGMLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-19-8-4-17(5-9-19)23-21(26)20(25)22-11-10-16-2-6-18(7-3-16)24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide has a molecular weight of 383.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16891641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).