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

C13H15N3O4 — CID 168520794

IUPAC2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1NC(=O)CC#N
InChIInChI=1S/C13H15N3O4/c1-19-8-13(18)15-10-4-3-9(20-2)7-11(10)16-12(17)5-6-14/h3-4,7H,5,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOXYJBLLKWSNQDY-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.13
Rot. Bonds6

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

2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide (PubChem CID 168520794) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
PubChem CID168520794
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1NC(=O)CC#N
InChIInChI=1S/C13H15N3O4/c1-19-8-13(18)15-10-4-3-9(20-2)7-11(10)16-12(17)5-6-14/h3-4,7H,5,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOXYJBLLKWSNQDY-UHFFFAOYSA-N
XLogP1.13
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
CID 169338288
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
CID 168520140
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168637210
2-(2,4-difluorophenyl)-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131889857
2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 168521474
2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide
CID 108922952
methyl 3-[(2-cyanoacetyl)amino]-2-hydroxy-5-methoxybenzoate
CID 168521900
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168579680
methyl 3-chloro-4-[(2-cyanoacetyl)amino]benzoate
CID 83311952
N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168602319

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide (CID 168520794) is 2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide is COCC(=O)Nc1ccc(OC)cc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide?
The InChIKey is OXYJBLLKWSNQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-19-8-13(18)15-10-4-3-9(20-2)7-11(10)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-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide?
2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide has a molecular weight of 277.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 168520794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).