2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide

C13H17NO2 — CID 2269251

IUPAC2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C13H17NO2/c1-4-7-14-13(15)9-16-12-8-10(2)5-6-11(12)3/h4-6,8H,1,7,9H2,2-3H3,(H,14,15)
InChIKeyHHQJCXLEZWFPQY-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.98
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide

2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide (PubChem CID 2269251) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide
PubChem CID2269251
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C13H17NO2/c1-4-7-14-13(15)9-16-12-8-10(2)5-6-11(12)3/h4-6,8H,1,7,9H2,2-3H3,(H,14,15)
InChIKeyHHQJCXLEZWFPQY-UHFFFAOYSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide (CID 2269251) is 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide?
The InChIKey is HHQJCXLEZWFPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-7-14-13(15)9-16-12-8-10(2)5-6-11(12)3/h4-6,8H,1,7,9H2,2-3H3,(H,14,15).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide?
2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide has a molecular weight of 219.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 2269251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).