2-cyano-N-(4-morpholin-4-ylphenyl)acetamide

C13H15N3O2 — CID 2437295

IUPAC2-cyano-N-(4-morpholin-4-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O2/c14-6-5-13(17)15-11-1-3-12(4-2-11)16-7-9-18-10-8-16/h1-4H,5,7-10H2,(H,15,17)
InChIKeyZHVLIQVUAGHPCA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.38
Rot. Bonds3

About 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide

2-cyano-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2437295) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2437295
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-cyano-N-(4-morpholin-4-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O2/c14-6-5-13(17)15-11-1-3-12(4-2-11)16-7-9-18-10-8-16/h1-4H,5,7-10H2,(H,15,17)
InChIKeyZHVLIQVUAGHPCA-UHFFFAOYSA-N
XLogP1.38
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide (CID 2437295) is 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide is N#CCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZHVLIQVUAGHPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-6-5-13(17)15-11-1-3-12(4-2-11)16-7-9-18-10-8-16/h1-4H,5,7-10H2,(H,15,17).
What are the key properties of 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide?
2-cyano-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.38, 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-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2437295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).