2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide

C15H17N3O3 — CID 84580719

IUPAC2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
SMILESN#CCC(=O)NCC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H17N3O3/c16-6-5-15(20)17-11-14(19)12-1-3-13(4-2-12)18-7-9-21-10-8-18/h1-4H,5,7-11H2,(H,17,20)
InChIKeyPARSECNZDOIPHK-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.74
Rot. Bonds5

About 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide

2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide (PubChem CID 84580719) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
PubChem CID84580719
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
SMILESN#CCC(=O)NCC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H17N3O3/c16-6-5-15(20)17-11-14(19)12-1-3-13(4-2-12)18-7-9-21-10-8-18/h1-4H,5,7-11H2,(H,17,20)
InChIKeyPARSECNZDOIPHK-UHFFFAOYSA-N
XLogP0.74
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 84580144
N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
CID 63180100
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216761
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
2-amino-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 61253868
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide (CID 84580719) is 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide is N#CCC(=O)NCC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide?
The InChIKey is PARSECNZDOIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-6-5-15(20)17-11-14(19)12-1-3-13(4-2-12)18-7-9-21-10-8-18/h1-4H,5,7-11H2,(H,17,20).
What are the key properties of 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide?
2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide is sourced from PubChem (CID 84580719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).