2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide

C13H15N3O3 — CID 168522703

IUPAC2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
SMILESCOCC(=O)Nc1ccc(C)c(NC(=O)CC#N)c1
InChIInChI=1S/C13H15N3O3/c1-9-3-4-10(15-13(18)8-19-2)7-11(9)16-12(17)5-6-14/h3-4,7H,5,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYVZJGYWVCWCETF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.43
Rot. Bonds5

About 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide

2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide (PubChem CID 168522703) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
PubChem CID168522703
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
SMILESCOCC(=O)Nc1ccc(C)c(NC(=O)CC#N)c1
InChIInChI=1S/C13H15N3O3/c1-9-3-4-10(15-13(18)8-19-2)7-11(9)16-12(17)5-6-14/h3-4,7H,5,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYVZJGYWVCWCETF-UHFFFAOYSA-N
XLogP1.43
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 168520574
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 168520794
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
[2-(2-methylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548765
2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide
CID 108922770
N-[4-[(2-cyanoacetyl)amino]-2-methylphenyl]butanamide
CID 168522119
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808353
2-methoxy-N-[3-[[1-(methoxymethyl)cyclopentyl]methylcarbamoylamino]-4-methylphenyl]acetamide
CID 118766082

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide?
The IUPAC name of 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide (CID 168522703) is 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide?
The canonical SMILES for 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide is COCC(=O)Nc1ccc(C)c(NC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide?
The InChIKey is YVZJGYWVCWCETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-3-4-10(15-13(18)8-19-2)7-11(9)16-12(17)5-6-14/h3-4,7H,5,8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide?
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 168522703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).