2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide

C13H11N3O3 — CID 4778390

IUPAC2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=C(C#N)C#N)ccc1OCC(N)=O
InChIInChI=1S/C13H11N3O3/c1-18-12-5-9(4-10(6-14)7-15)2-3-11(12)19-8-13(16)17/h2-5H,8H2,1H3,(H2,16,17)
InChIKeyUOAMDVWPEUQXPO-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.99
Rot. Bonds5

About 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide

2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide (PubChem CID 4778390) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide
PubChem CID4778390
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=C(C#N)C#N)ccc1OCC(N)=O
InChIInChI=1S/C13H11N3O3/c1-18-12-5-9(4-10(6-14)7-15)2-3-11(12)19-8-13(16)17/h2-5H,8H2,1H3,(H2,16,17)
InChIKeyUOAMDVWPEUQXPO-UHFFFAOYSA-N
XLogP0.99
TPSA109.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(Z)-2-cyano-2-(4-methylphenyl)ethenyl]-2-methoxyphenoxy]acetamide
CID 955026
2-[[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]propanedinitrile
CID 39973899
2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 783087
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 4652824
2-[[4-methoxy-3-(3-methylbutoxy)phenyl]methylidene]propanedinitrile
CID 49311619
2-[4-(2,2-dicyanoethenyl)-2-ethoxyphenoxy]-N,N-dimethylacetamide
CID 2688413
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
ethyl (Z)-2-cyano-3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 10496860
2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 24542213
[4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19217944
2-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 6209418
(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 6025938

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide (CID 4778390) is 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide is COc1cc(C=C(C#N)C#N)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide?
The InChIKey is UOAMDVWPEUQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-18-12-5-9(4-10(6-14)7-15)2-3-11(12)19-8-13(16)17/h2-5H,8H2,1H3,(H2,16,17).
What are the key properties of 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide?
2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide has a molecular weight of 257.25 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 4778390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).