2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide

C11H12N2O2 — CID 168520330

IUPAC2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC#N)c(O)c1
InChIInChI=1S/C11H12N2O2/c1-2-8-3-4-9(10(14)7-8)13-11(15)5-6-12/h3-4,7,14H,2,5H2,1H3,(H,13,15)
InChIKeyALLNDNNBTDVSSN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.81
Rot. Bonds3

About 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide

2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide (PubChem CID 168520330) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide
PubChem CID168520330
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC#N)c(O)c1
InChIInChI=1S/C11H12N2O2/c1-2-8-3-4-9(10(14)7-8)13-11(15)5-6-12/h3-4,7,14H,2,5H2,1H3,(H,13,15)
InChIKeyALLNDNNBTDVSSN-UHFFFAOYSA-N
XLogP1.81
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide
CID 91681073
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
N,N'-bis(2,4-diethylphenyl)propanediamide
CID 19008540
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
methyl 3-chloro-4-[(2-cyanoacetyl)amino]benzoate
CID 83311952
2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
CID 168523802
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
2-[(2-cyanoacetyl)amino]-5-methoxycarbonylbenzoic acid
CID 168523826
N-(4-chloro-5-fluoro-2-hydroxyphenyl)-2-cyanoacetamide
CID 168522906
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide (CID 168520330) is 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide is CCc1ccc(NC(=O)CC#N)c(O)c1.
What is the InChIKey of 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide?
The InChIKey is ALLNDNNBTDVSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-8-3-4-9(10(14)7-8)13-11(15)5-6-12/h3-4,7,14H,2,5H2,1H3,(H,13,15).
What are the key properties of 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide?
2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide has a molecular weight of 204.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 168520330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).