N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide

C16H19NO2 — CID 2952210

IUPACN-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCCc1ccc(NC(=O)CCc2ccc(C)o2)cc1
InChIInChI=1S/C16H19NO2/c1-3-13-5-7-14(8-6-13)17-16(18)11-10-15-9-4-12(2)19-15/h4-9H,3,10-11H2,1-2H3,(H,17,18)
InChIKeyWMMLBYKLGWCXQW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.72
Rot. Bonds5

About N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide

N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 2952210) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID2952210
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCCc1ccc(NC(=O)CCc2ccc(C)o2)cc1
InChIInChI=1S/C16H19NO2/c1-3-13-5-7-14(8-6-13)17-16(18)11-10-15-9-4-12(2)19-15/h4-9H,3,10-11H2,1-2H3,(H,17,18)
InChIKeyWMMLBYKLGWCXQW-UHFFFAOYSA-N
XLogP3.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide (CID 2952210) is N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide is CCc1ccc(NC(=O)CCc2ccc(C)o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is WMMLBYKLGWCXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-13-5-7-14(8-6-13)17-16(18)11-10-15-9-4-12(2)19-15/h4-9H,3,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 257.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 2952210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).