(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

C18H16N2O2 — CID 39400764

IUPAC(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2o1)NCCc1ccccn1
InChIInChI=1S/C18H16N2O2/c21-18(20-12-10-15-6-3-4-11-19-15)9-8-16-13-14-5-1-2-7-17(14)22-16/h1-9,11,13H,10,12H2,(H,20,21)/b9-8+
InChIKeyAICICVXZCIIIDS-CMDGGOBGSA-N
MW292.34 g/mol
LogP3.20
Rot. Bonds5

About (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (PubChem CID 39400764) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
PubChem CID39400764
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2o1)NCCc1ccccn1
InChIInChI=1S/C18H16N2O2/c21-18(20-12-10-15-6-3-4-11-19-15)9-8-16-13-14-5-1-2-7-17(14)22-16/h1-9,11,13H,10,12H2,(H,20,21)/b9-8+
InChIKeyAICICVXZCIIIDS-CMDGGOBGSA-N
XLogP3.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.20
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

(E)-3-(1-benzofuran-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-enamide
CID 78861524
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 39394629
3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide
CID 74633280
3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 74607566
(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide
CID 32840230
(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39299939
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946
1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192181
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39897509
(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 78890942
(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
CID 51370904

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (CID 39400764) is (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is O=C(/C=C/c1cc2ccccc2o1)NCCc1ccccn1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The InChIKey is AICICVXZCIIIDS-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(20-12-10-15-6-3-4-11-19-15)9-8-16-13-14-5-1-2-7-17(14)22-16/h1-9,11,13H,10,12H2,(H,20,21)/b9-8+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 39400764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).