2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide

C14H17NO4 — CID 24708758

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C14H17NO4/c1-4-7-15-14(17)9-19-12-6-5-11(10(2)16)8-13(12)18-3/h4-6,8H,1,7,9H2,2-3H3,(H,15,17)
InChIKeyQPAGTHJNDHIWRH-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.58
Rot. Bonds7

About 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide

2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide (PubChem CID 24708758) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
PubChem CID24708758
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C14H17NO4/c1-4-7-15-14(17)9-19-12-6-5-11(10(2)16)8-13(12)18-3/h4-6,8H,1,7,9H2,2-3H3,(H,15,17)
InChIKeyQPAGTHJNDHIWRH-UHFFFAOYSA-N
XLogP1.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
[2-oxo-2-(prop-2-enylamino)ethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 18074118
3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 35018344
[2-oxo-2-(prop-2-enylamino)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55308886
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45304182
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26054504
3-chloro-4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45303892
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide (CID 24708758) is 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide?
The InChIKey is QPAGTHJNDHIWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-7-15-14(17)9-19-12-6-5-11(10(2)16)8-13(12)18-3/h4-6,8H,1,7,9H2,2-3H3,(H,15,17).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide has a molecular weight of 263.29 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 24708758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).