(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide

C17H15NO2 — CID 17460201

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(18-15-4-2-1-3-5-15)9-7-13-6-8-16-14(12-13)10-11-20-16/h1-9,12H,10-11H2,(H,18,19)/b9-7+
InChIKeyYKGNYNAMFUUGJZ-VQHVLOKHSA-N
MW265.31 g/mol
LogP3.27
Rot. Bonds3

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide (PubChem CID 17460201) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
PubChem CID17460201
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(18-15-4-2-1-3-5-15)9-7-13-6-8-16-14(12-13)10-11-20-16/h1-9,12H,10-11H2,(H,18,19)/b9-7+
InChIKeyYKGNYNAMFUUGJZ-VQHVLOKHSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471751
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 33314257
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 17491868
(E)-N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 35830940
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide
CID 24632241
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-hydroxyethyl)phenyl]prop-2-enamide
CID 110904699
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368829
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-prop-2-ynoxyphenyl)prop-2-enamide
CID 72689268
N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 38206239
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide
CID 24614598
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 51297180

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide (CID 17460201) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccccc1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide?
The InChIKey is YKGNYNAMFUUGJZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(18-15-4-2-1-3-5-15)9-7-13-6-8-16-14(12-13)10-11-20-16/h1-9,12H,10-11H2,(H,18,19)/b9-7+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 17460201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).