2-(3-ethylphenoxy)-N-prop-2-enylacetamide

C13H17NO2 — CID 19177242

IUPAC2-(3-ethylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(CC)c1
InChIInChI=1S/C13H17NO2/c1-3-8-14-13(15)10-16-12-7-5-6-11(4-2)9-12/h3,5-7,9H,1,4,8,10H2,2H3,(H,14,15)
InChIKeyGFWGHGVRERVPBZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.93
Rot. Bonds6

About 2-(3-ethylphenoxy)-N-prop-2-enylacetamide

2-(3-ethylphenoxy)-N-prop-2-enylacetamide (PubChem CID 19177242) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-prop-2-enylacetamide
PubChem CID19177242
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(3-ethylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(CC)c1
InChIInChI=1S/C13H17NO2/c1-3-8-14-13(15)10-16-12-7-5-6-11(4-2)9-12/h3,5-7,9H,1,4,8,10H2,2H3,(H,14,15)
InChIKeyGFWGHGVRERVPBZ-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 18158413
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-prop-2-enylacetamide (CID 19177242) is 2-(3-ethylphenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1cccc(CC)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-prop-2-enylacetamide?
The InChIKey is GFWGHGVRERVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-8-14-13(15)10-16-12-7-5-6-11(4-2)9-12/h3,5-7,9H,1,4,8,10H2,2H3,(H,14,15).
What are the key properties of 2-(3-ethylphenoxy)-N-prop-2-enylacetamide?
2-(3-ethylphenoxy)-N-prop-2-enylacetamide has a molecular weight of 219.28 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 19177242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).