3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide

C16H19NO3 — CID 17034727

IUPAC3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19NO3/c1-12-8-13(2)10-15(9-12)20-7-5-16(18)17-11-14-4-3-6-19-14/h3-4,6,8-10H,5,7,11H2,1-2H3,(H,17,18)
InChIKeyTYNPDOHTQZXVEH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.98
Rot. Bonds6

About 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide

3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide (PubChem CID 17034727) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
PubChem CID17034727
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19NO3/c1-12-8-13(2)10-15(9-12)20-7-5-16(18)17-11-14-4-3-6-19-14/h3-4,6,8-10H,5,7,11H2,1-2H3,(H,17,18)
InChIKeyTYNPDOHTQZXVEH-UHFFFAOYSA-N
XLogP2.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955
4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 2477739
2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 24507737
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide
CID 78771954
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600442
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide (CID 17034727) is 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide is Cc1cc(C)cc(OCCC(=O)NCc2ccco2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is TYNPDOHTQZXVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12-8-13(2)10-15(9-12)20-7-5-16(18)17-11-14-4-3-6-19-14/h3-4,6,8-10H,5,7,11H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 273.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 17034727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).