2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide

C12H14N2O2 — CID 20991624

IUPAC2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)CC#N)cc1
InChIInChI=1S/C12H14N2O2/c1-2-16-11-5-3-10(4-6-11)9-14-12(15)7-8-13/h3-6H,2,7,9H2,1H3,(H,14,15)
InChIKeyYEUXPQCBFYHIBY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds5

About 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide

2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide (PubChem CID 20991624) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
PubChem CID20991624
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)CC#N)cc1
InChIInChI=1S/C12H14N2O2/c1-2-16-11-5-3-10(4-6-11)9-14-12(15)7-8-13/h3-6H,2,7,9H2,1H3,(H,14,15)
InChIKeyYEUXPQCBFYHIBY-UHFFFAOYSA-N
XLogP1.62
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257
2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
CID 108924311
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20989951
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide (CID 20991624) is 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide is CCOc1ccc(CNC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide?
The InChIKey is YEUXPQCBFYHIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-16-11-5-3-10(4-6-11)9-14-12(15)7-8-13/h3-6H,2,7,9H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide?
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20991624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).