2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide

C12H12N2O3 — CID 24701029

IUPAC2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
SMILESCC(=O)c1ccccc1OCC(=O)NCC#N
InChIInChI=1S/C12H12N2O3/c1-9(15)10-4-2-3-5-11(10)17-8-12(16)14-7-6-13/h2-5H,7-8H2,1H3,(H,14,16)
InChIKeyJTWCQZRPNZCIIB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.91
Rot. Bonds5

About 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide

2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide (PubChem CID 24701029) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
PubChem CID24701029
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
SMILESCC(=O)c1ccccc1OCC(=O)NCC#N
InChIInChI=1S/C12H12N2O3/c1-9(15)10-4-2-3-5-11(10)17-8-12(16)14-7-6-13/h2-5H,7-8H2,1H3,(H,14,16)
InChIKeyJTWCQZRPNZCIIB-UHFFFAOYSA-N
XLogP0.91
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetyl-5-fluorophenoxy)-N-(cyanomethyl)acetamide
CID 63066965
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
2-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43471761
N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503572
2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
CID 7434176
2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 7859296
2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide
CID 112781556
3-[2-(cyanomethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380031
2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859290
2-(2-acetylphenoxy)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859288
ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
CID 7859274
2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 115280511

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide (CID 24701029) is 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide is CC(=O)c1ccccc1OCC(=O)NCC#N.
What is the InChIKey of 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide?
The InChIKey is JTWCQZRPNZCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-9(15)10-4-2-3-5-11(10)17-8-12(16)14-7-6-13/h2-5H,7-8H2,1H3,(H,14,16).
What are the key properties of 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide?
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 24701029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).