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

C19H15NO3 — CID 681024

IUPAC(E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H15NO3/c21-19(13-12-16-7-4-14-22-16)20-15-8-10-18(11-9-15)23-17-5-2-1-3-6-17/h1-14H,(H,20,21)/b13-12+
InChIKeyVXEQKDXZMUUEFC-OUKQBFOZSA-N
MW305.33 g/mol
LogP4.72
Rot. Bonds5

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

(E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide (PubChem CID 681024) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide
PubChem CID681024
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H15NO3/c21-19(13-12-16-7-4-14-22-16)20-15-8-10-18(11-9-15)23-17-5-2-1-3-6-17/h1-14H,(H,20,21)/b13-12+
InChIKeyVXEQKDXZMUUEFC-OUKQBFOZSA-N
XLogP4.72
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.72
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide (CID 681024) is (E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide?
The InChIKey is VXEQKDXZMUUEFC-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(13-12-16-7-4-14-22-16)20-15-8-10-18(11-9-15)23-17-5-2-1-3-6-17/h1-14H,(H,20,21)/b13-12+.
What are the key properties of (E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(4-phenoxyphenyl)prop-2-enamide has a molecular weight of 305.33 g/mol, XLogP of 4.72, 5 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)prop-2-enamide is sourced from PubChem (CID 681024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).