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

C20H19NO3 — CID 26687668

IUPAC(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)Nc1ccccc1OC
InChIInChI=1S/C20H19NO3/c1-3-17-15(14-8-4-6-10-18(14)24-17)12-13-20(22)21-16-9-5-7-11-19(16)23-2/h4-13H,3H2,1-2H3,(H,21,22)/b13-12+
InChIKeyZSWMPMRBWFIDSF-OUKQBFOZSA-N
MW321.38 g/mol
LogP4.66
Rot. Bonds5

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

(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 26687668) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID26687668
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)Nc1ccccc1OC
InChIInChI=1S/C20H19NO3/c1-3-17-15(14-8-4-6-10-18(14)24-17)12-13-20(22)21-16-9-5-7-11-19(16)23-2/h4-13H,3H2,1-2H3,(H,21,22)/b13-12+
InChIKeyZSWMPMRBWFIDSF-OUKQBFOZSA-N
XLogP4.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.66
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

methyl N-[4-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]phenyl]carbamate
CID 55804926
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
methyl (2S)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9085116
(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
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
CID 110002731
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 55697866
(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
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 94131112
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 55810227

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide (CID 26687668) is (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide is CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccccc1OC.
What is the InChIKey of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is ZSWMPMRBWFIDSF-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-17-15(14-8-4-6-10-18(14)24-17)12-13-20(22)21-16-9-5-7-11-19(16)23-2/h4-13H,3H2,1-2H3,(H,21,22)/b13-12+.
What are the key properties of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26687668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).