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

C20H17NO3 — CID 60619034

IUPAC(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO3/c22-20(13-12-17-7-4-14-23-17)21-15-16-8-10-19(11-9-16)24-18-5-2-1-3-6-18/h1-14H,15H2,(H,21,22)/b13-12+
InChIKeySBAXLWNEBRIUDL-OUKQBFOZSA-N
MW319.36 g/mol
LogP4.40
Rot. Bonds6

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

(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide (PubChem CID 60619034) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
PubChem CID60619034
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO3/c22-20(13-12-17-7-4-14-23-17)21-15-16-8-10-19(11-9-16)24-18-5-2-1-3-6-18/h1-14H,15H2,(H,21,22)/b13-12+
InChIKeySBAXLWNEBRIUDL-OUKQBFOZSA-N
XLogP4.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 60534017
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211
2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 20610026
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
3-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 607372
3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 75269019
(E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 95619789

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide (CID 60619034) is (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide?
The InChIKey is SBAXLWNEBRIUDL-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H17NO3/c22-20(13-12-17-7-4-14-23-17)21-15-16-8-10-19(11-9-16)24-18-5-2-1-3-6-18/h1-14H,15H2,(H,21,22)/b13-12+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 60619034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).