2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide

C14H16N2O4 — CID 115280511

IUPAC2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
SMILESCOc1ccc(C(C)=O)c(OCC(=O)NCCC#N)c1
InChIInChI=1S/C14H16N2O4/c1-10(17)12-5-4-11(19-2)8-13(12)20-9-14(18)16-7-3-6-15/h4-5,8H,3,7,9H2,1-2H3,(H,16,18)
InChIKeyJTBNYBOJKGLJEF-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.31
Rot. Bonds7

About 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide

2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide (PubChem CID 115280511) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
PubChem CID115280511
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
SMILESCOc1ccc(C(C)=O)c(OCC(=O)NCCC#N)c1
InChIInChI=1S/C14H16N2O4/c1-10(17)12-5-4-11(19-2)8-13(12)20-9-14(18)16-7-3-6-15/h4-5,8H,3,7,9H2,1-2H3,(H,16,18)
InChIKeyJTBNYBOJKGLJEF-UHFFFAOYSA-N
XLogP1.31
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 34061017
2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 7688307
2-[2-(2-cyanoethylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60712950
2-(2-acetyl-5-fluorophenoxy)-N-(cyanomethyl)acetamide
CID 63066965
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029
N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43503845
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-(2-acetyl-4-methoxyphenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18077065
[2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949448

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide (CID 115280511) is 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide is COc1ccc(C(C)=O)c(OCC(=O)NCCC#N)c1.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide?
The InChIKey is JTBNYBOJKGLJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10(17)12-5-4-11(19-2)8-13(12)20-9-14(18)16-7-3-6-15/h4-5,8H,3,7,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide?
2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide has a molecular weight of 276.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 115280511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).