(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide

C21H20N2O3 — CID 26273248

IUPAC(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H20N2O3/c1-3-19-18(17-6-4-5-7-20(17)26-19)12-13-21(25)23-16-10-8-15(9-11-16)22-14(2)24/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)/b13-12+
InChIKeyQHMMOALSMCUOBZ-OUKQBFOZSA-N
MW348.40 g/mol
LogP4.61
Rot. Bonds5

About (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide

(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide (PubChem CID 26273248) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
PubChem CID26273248
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H20N2O3/c1-3-19-18(17-6-4-5-7-20(17)26-19)12-13-21(25)23-16-10-8-15(9-11-16)22-14(2)24/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)/b13-12+
InChIKeyQHMMOALSMCUOBZ-OUKQBFOZSA-N
XLogP4.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-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

Related Compounds

methyl N-[4-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]phenyl]carbamate
CID 55804926
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 26687668
N-[4-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55622235
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
N-[3-[3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708299
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 78823120
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
(E)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 55457929
methyl (2S)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9085116
N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 8870811
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 94131112

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide (CID 26273248) is (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide is CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide?
The InChIKey is QHMMOALSMCUOBZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-19-18(17-6-4-5-7-20(17)26-19)12-13-21(25)23-16-10-8-15(9-11-16)22-14(2)24/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)/b13-12+.
What are the key properties of (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide?
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide has a molecular weight of 348.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide is sourced from PubChem (CID 26273248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).