2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide

C13H13N3O3 — CID 168524282

IUPAC2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C13H13N3O3/c14-6-5-12(17)15-10-1-3-11(4-2-10)16-7-8-19-9-13(16)18/h1-4H,5,7-9H2,(H,15,17)
InChIKeyPEYITQGGNBGCEG-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.90
Rot. Bonds3

About 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide

2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide (PubChem CID 168524282) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
PubChem CID168524282
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C13H13N3O3/c14-6-5-12(17)15-10-1-3-11(4-2-10)16-7-8-19-9-13(16)18/h1-4H,5,7-9H2,(H,15,17)
InChIKeyPEYITQGGNBGCEG-UHFFFAOYSA-N
XLogP0.90
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110617653
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
3-(3-fluorophenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110611038
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
3-hydroxy-N-[4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
CID 78036523
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide (CID 168524282) is 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide is N#CCC(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
The InChIKey is PEYITQGGNBGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-6-5-12(17)15-10-1-3-11(4-2-10)16-7-8-19-9-13(16)18/h1-4H,5,7-9H2,(H,15,17).
What are the key properties of 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide has a molecular weight of 259.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide is sourced from PubChem (CID 168524282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).