3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide

C15H15NO2 — CID 963854

IUPAC3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
SMILESCc1ccc(CNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C15H15NO2/c1-12-4-6-13(7-5-12)11-16-15(17)9-8-14-3-2-10-18-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeyATMXJGYBMNPXNG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.92
Rot. Bonds4

About 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide

3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide (PubChem CID 963854) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
PubChem CID963854
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
SMILESCc1ccc(CNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C15H15NO2/c1-12-4-6-13(7-5-12)11-16-15(17)9-8-14-3-2-10-18-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeyATMXJGYBMNPXNG-UHFFFAOYSA-N
XLogP2.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 75269019
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 607372
2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 20610026
methyl 2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoate
CID 20610054
N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
CID 5254255
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 9193821
N-[3-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 55899785
(E)-N-[(4-methylphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9085952
3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
CID 71962615

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide (CID 963854) is 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide is Cc1ccc(CNC(=O)C=Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The InChIKey is ATMXJGYBMNPXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12-4-6-13(7-5-12)11-16-15(17)9-8-14-3-2-10-18-14/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 963854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).