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

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Related Compounds

4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
CID 62034806
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62037153
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62053237
2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid
CID 122561799
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
CID 71497144
1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63007660
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
4-[[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124161
2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61422064
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
2-(4-ethoxyphenoxy)-N-[2-(furan-3-yl)ethyl]acetamide
CID 90558332

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).