2-(3-cyanophenoxy)-N-prop-2-enylacetamide

C12H12N2O2 — CID 24699881

IUPAC2-(3-cyanophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(C#N)c1
InChIInChI=1S/C12H12N2O2/c1-2-6-14-12(15)9-16-11-5-3-4-10(7-11)8-13/h2-5,7H,1,6,9H2,(H,14,15)
InChIKeyLZYUWUXZKQMUCF-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.24
Rot. Bonds5

About 2-(3-cyanophenoxy)-N-prop-2-enylacetamide

2-(3-cyanophenoxy)-N-prop-2-enylacetamide (PubChem CID 24699881) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-prop-2-enylacetamide
PubChem CID24699881
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(3-cyanophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(C#N)c1
InChIInChI=1S/C12H12N2O2/c1-2-6-14-12(15)9-16-11-5-3-4-10(7-11)8-13/h2-5,7H,1,6,9H2,(H,14,15)
InChIKeyLZYUWUXZKQMUCF-UHFFFAOYSA-N
XLogP1.24
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
3-cyano-N-prop-2-enylbenzamide
CID 24701030
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-prop-2-enylacetamide (CID 24699881) is 2-(3-cyanophenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-prop-2-enylacetamide?
The InChIKey is LZYUWUXZKQMUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-6-14-12(15)9-16-11-5-3-4-10(7-11)8-13/h2-5,7H,1,6,9H2,(H,14,15).
What are the key properties of 2-(3-cyanophenoxy)-N-prop-2-enylacetamide?
2-(3-cyanophenoxy)-N-prop-2-enylacetamide has a molecular weight of 216.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 24699881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).