2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide

C15H19N3O3 — CID 62037442

IUPAC2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O3/c1-18(11-15(20)17-7-8-21-2)10-14(19)13-5-3-12(9-16)4-6-13/h3-6H,7-8,10-11H2,1-2H3,(H,17,20)
InChIKeyNUPDXWWYLOEZQV-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.44
Rot. Bonds8

About 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide

2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 62037442) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID62037442
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O3/c1-18(11-15(20)17-7-8-21-2)10-14(19)13-5-3-12(9-16)4-6-13/h3-6H,7-8,10-11H2,1-2H3,(H,17,20)
InChIKeyNUPDXWWYLOEZQV-UHFFFAOYSA-N
XLogP0.44
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035144
2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 60680853
4-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetyl]benzonitrile
CID 62030522
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide
CID 143994905
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625368
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959
N-(2-methoxyethyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60691530

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide (CID 62037442) is 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)CC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is NUPDXWWYLOEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18(11-15(20)17-7-8-21-2)10-14(19)13-5-3-12(9-16)4-6-13/h3-6H,7-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 62037442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).