(E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide

C21H19NO2 — CID 881720

IUPAC(E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C21H19NO2/c1-2-16-9-6-7-13-20(16)22-21(23)19(15-18-12-8-14-24-18)17-10-4-3-5-11-17/h3-15H,2H2,1H3,(H,22,23)/b19-15+
InChIKeyGHEBEVYFDYKANS-XDJHFCHBSA-N
MW317.39 g/mol
LogP5.02
Rot. Bonds5

About (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide

(E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 881720) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID881720
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C21H19NO2/c1-2-16-9-6-7-13-20(16)22-21(23)19(15-18-12-8-14-24-18)17-10-4-3-5-11-17/h3-15H,2H2,1H3,(H,22,23)/b19-15+
InChIKeyGHEBEVYFDYKANS-XDJHFCHBSA-N
XLogP5.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide 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)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 881720) is (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide is CCc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is GHEBEVYFDYKANS-XDJHFCHBSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-16-9-6-7-13-20(16)22-21(23)19(15-18-12-8-14-24-18)17-10-4-3-5-11-17/h3-15H,2H2,1H3,(H,22,23)/b19-15+.
What are the key properties of (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 881720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).