2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide

C14H20N2O2 — CID 60882038

IUPAC2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(CNCC)c1
InChIInChI=1S/C14H20N2O2/c1-3-8-16-14(17)11-18-13-7-5-6-12(9-13)10-15-4-2/h3,5-7,9,15H,1,4,8,10-11H2,2H3,(H,16,17)
InChIKeyQJFDQHMHCCAKIG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds8

About 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide

2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide (PubChem CID 60882038) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
PubChem CID60882038
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(CNCC)c1
InChIInChI=1S/C14H20N2O2/c1-3-8-16-14(17)11-18-13-7-5-6-12(9-13)10-15-4-2/h3,5-7,9,15H,1,4,8,10-11H2,2H3,(H,16,17)
InChIKeyQJFDQHMHCCAKIG-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 112609262
2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 18158413
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide (CID 60882038) is 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1cccc(CNCC)c1.
What is the InChIKey of 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The InChIKey is QJFDQHMHCCAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-8-16-14(17)11-18-13-7-5-6-12(9-13)10-15-4-2/h3,5-7,9,15H,1,4,8,10-11H2,2H3,(H,16,17).
What are the key properties of 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 60882038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).