2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide

C12H15N3O3 — CID 107467856

IUPAC2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
SMILESCOc1cccc(C#N)c1NC(=O)COCCN
InChIInChI=1S/C12H15N3O3/c1-17-10-4-2-3-9(7-14)12(10)15-11(16)8-18-6-5-13/h2-4H,5-6,8,13H2,1H3,(H,15,16)
InChIKeyIYNPHWFQNUKZCZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.48
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide

2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide (PubChem CID 107467856) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
PubChem CID107467856
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
SMILESCOc1cccc(C#N)c1NC(=O)COCCN
InChIInChI=1S/C12H15N3O3/c1-17-10-4-2-3-9(7-14)12(10)15-11(16)8-18-6-5-13/h2-4H,5-6,8,13H2,1H3,(H,15,16)
InChIKeyIYNPHWFQNUKZCZ-UHFFFAOYSA-N
XLogP0.48
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide
CID 107467787
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
CID 107467897
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 79464169

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide (CID 107467856) is 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide is COc1cccc(C#N)c1NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide?
The InChIKey is IYNPHWFQNUKZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-17-10-4-2-3-9(7-14)12(10)15-11(16)8-18-6-5-13/h2-4H,5-6,8,13H2,1H3,(H,15,16).
What are the key properties of 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide?
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide is sourced from PubChem (CID 107467856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).