1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone

C16H19NO3 — CID 62034992

IUPAC1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
SMILESCCOc1ccc(C(=O)CN(C)Cc2ccoc2)cc1
InChIInChI=1S/C16H19NO3/c1-3-20-15-6-4-14(5-7-15)16(18)11-17(2)10-13-8-9-19-12-13/h4-9,12H,3,10-11H2,1-2H3
InChIKeyGYHZLJSXGWEKTE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.99
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone

1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone (PubChem CID 62034992) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
PubChem CID62034992
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
SMILESCCOc1ccc(C(=O)CN(C)Cc2ccoc2)cc1
InChIInChI=1S/C16H19NO3/c1-3-20-15-6-4-14(5-7-15)16(18)11-17(2)10-13-8-9-19-12-13/h4-9,12H,3,10-11H2,1-2H3
InChIKeyGYHZLJSXGWEKTE-UHFFFAOYSA-N
XLogP2.99
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone 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 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone (CID 62034992) is 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone is CCOc1ccc(C(=O)CN(C)Cc2ccoc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone?
The InChIKey is GYHZLJSXGWEKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-20-15-6-4-14(5-7-15)16(18)11-17(2)10-13-8-9-19-12-13/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone?
1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone has a molecular weight of 273.33 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 62034992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).