2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide

C12H12N2O2 — CID 168523675

IUPAC2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide
SMILESC=Cc1cc(NC(=O)CC#N)ccc1OC
InChIInChI=1S/C12H12N2O2/c1-3-9-8-10(4-5-11(9)16-2)14-12(15)6-7-13/h3-5,8H,1,6H2,2H3,(H,14,15)
InChIKeyAYIPJGVNSWLQMZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds4

About 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide

2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide (PubChem CID 168523675) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide
PubChem CID168523675
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide
SMILESC=Cc1cc(NC(=O)CC#N)ccc1OC
InChIInChI=1S/C12H12N2O2/c1-3-9-8-10(4-5-11(9)16-2)14-12(15)6-7-13/h3-5,8H,1,6H2,2H3,(H,14,15)
InChIKeyAYIPJGVNSWLQMZ-UHFFFAOYSA-N
XLogP2.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2449668
2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168524286
2-cyano-N-[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924171
2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
CID 168522487
methyl 5-[(2-cyanoacetyl)amino]-2-fluorobenzoate
CID 168520431
2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108923308

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide?
The IUPAC name of 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide (CID 168523675) is 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide is C=Cc1cc(NC(=O)CC#N)ccc1OC.
What is the InChIKey of 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide?
The InChIKey is AYIPJGVNSWLQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-9-8-10(4-5-11(9)16-2)14-12(15)6-7-13/h3-5,8H,1,6H2,2H3,(H,14,15).
What are the key properties of 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide?
2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide has a molecular weight of 216.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide is sourced from PubChem (CID 168523675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).