3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide

C16H23NO3 — CID 58655109

IUPAC3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide
SMILESC=CCOc1ccc(CCC(=O)NCC)cc1OCC
InChIInChI=1S/C16H23NO3/c1-4-11-20-14-9-7-13(12-15(14)19-6-3)8-10-16(18)17-5-2/h4,7,9,12H,1,5-6,8,10-11H2,2-3H3,(H,17,18)
InChIKeyHLGAQUMTGQYROT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.72
Rot. Bonds9

About 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide

3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide (PubChem CID 58655109) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide
PubChem CID58655109
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide
SMILESC=CCOc1ccc(CCC(=O)NCC)cc1OCC
InChIInChI=1S/C16H23NO3/c1-4-11-20-14-9-7-13(12-15(14)19-6-3)8-10-16(18)17-5-2/h4,7,9,12H,1,5-6,8,10-11H2,2-3H3,(H,17,18)
InChIKeyHLGAQUMTGQYROT-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide
CID 58655161
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100527332
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
4-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]butanoic acid
CID 102536561
3-(3,4-diethoxyphenyl)propanamide
CID 28631811

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide?
The IUPAC name of 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide (CID 58655109) is 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide?
The canonical SMILES for 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide is C=CCOc1ccc(CCC(=O)NCC)cc1OCC.
What is the InChIKey of 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide?
The InChIKey is HLGAQUMTGQYROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11-20-14-9-7-13(12-15(14)19-6-3)8-10-16(18)17-5-2/h4,7,9,12H,1,5-6,8,10-11H2,2-3H3,(H,17,18).
What are the key properties of 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide?
3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide is sourced from PubChem (CID 58655109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).