2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide

C15H19N3O2 — CID 60779241

IUPAC2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,11-16)14(19)17-12-3-5-13(6-4-12)18-7-9-20-10-8-18/h3-6H,7-10H2,1-2H3,(H,17,19)
InChIKeyBRYBIGHQNDAFFY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.01
Rot. Bonds3

About 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide

2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 60779241) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID60779241
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,11-16)14(19)17-12-3-5-13(6-4-12)18-7-9-20-10-8-18/h3-6H,7-10H2,1-2H3,(H,17,19)
InChIKeyBRYBIGHQNDAFFY-UHFFFAOYSA-N
XLogP2.01
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.01
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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Related Compounds

2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
CID 1495338
(2S)-2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)butanamide
CID 1493880
2-[methylsulfanyl-(4-morpholin-4-ylanilino)methylidene]propanedinitrile
CID 91994965
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
CID 63180100
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
2-hydrazinyl-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 59464167

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide (CID 60779241) is 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide is CC(C)(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is BRYBIGHQNDAFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,11-16)14(19)17-12-3-5-13(6-4-12)18-7-9-20-10-8-18/h3-6H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide?
2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 60779241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).