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

C16H19NO2 — CID 46532048

IUPAC(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1c(CC)oc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-11-17-16(18)10-9-13-12-7-5-6-8-15(12)19-14(13)4-2/h5-10H,3-4,11H2,1-2H3,(H,17,18)/b10-9+
InChIKeyMVXIQCLJHITNQZ-MDZDMXLPSA-N
MW257.33 g/mol
LogP3.53
Rot. Bonds5

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

(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide (PubChem CID 46532048) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
PubChem CID46532048
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1c(CC)oc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-11-17-16(18)10-9-13-12-7-5-6-8-15(12)19-14(13)4-2/h5-10H,3-4,11H2,1-2H3,(H,17,18)/b10-9+
InChIKeyMVXIQCLJHITNQZ-MDZDMXLPSA-N
XLogP3.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-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

(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 78823120
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 94131112
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-[[4-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 55697866
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 26687668
N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 8870811
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)-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 51247281
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
CID 110002731
1-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9086021

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide (CID 46532048) is (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide is CCCNC(=O)/C=C/c1c(CC)oc2ccccc12.
What is the InChIKey of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide?
The InChIKey is MVXIQCLJHITNQZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-11-17-16(18)10-9-13-12-7-5-6-8-15(12)19-14(13)4-2/h5-10H,3-4,11H2,1-2H3,(H,17,18)/b10-9+.
What are the key properties of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide?
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide has a molecular weight of 257.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide is sourced from PubChem (CID 46532048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).