(E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one

C20H17NO4 — CID 2196129

IUPAC(E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one
SMILESCOc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccco2)cc1
InChIInChI=1S/C20H17NO4/c1-23-19-5-2-3-6-20(19)25-16-10-8-15(9-11-16)21-13-12-17(22)18-7-4-14-24-18/h2-14,21H,1H3/b13-12+
InChIKeyJCPLZANOSXUCBQ-OUKQBFOZSA-N
MW335.36 g/mol
LogP4.89
Rot. Bonds7

About (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one

(E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one (PubChem CID 2196129) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one
PubChem CID2196129
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one
SMILESCOc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccco2)cc1
InChIInChI=1S/C20H17NO4/c1-23-19-5-2-3-6-20(19)25-16-10-8-15(9-11-16)21-13-12-17(22)18-7-4-14-24-18/h2-14,21H,1H3/b13-12+
InChIKeyJCPLZANOSXUCBQ-OUKQBFOZSA-N
XLogP4.89
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one (CID 2196129) is (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one is COc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccco2)cc1.
What is the InChIKey of (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one?
The InChIKey is JCPLZANOSXUCBQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H17NO4/c1-23-19-5-2-3-6-20(19)25-16-10-8-15(9-11-16)21-13-12-17(22)18-7-4-14-24-18/h2-14,21H,1H3/b13-12+.
What are the key properties of (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one?
(E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one has a molecular weight of 335.36 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-3-[4-(2-methoxyphenoxy)anilino]prop-2-en-1-one is sourced from PubChem (CID 2196129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).