(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide

C19H19NO2 — CID 17491868

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C19H19NO2/c1-13-3-6-17(11-14(13)2)20-19(21)8-5-15-4-7-18-16(12-15)9-10-22-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/b8-5+
InChIKeyIQWNHUDBVBNPQW-VMPITWQZSA-N
MW293.37 g/mol
LogP3.89
Rot. Bonds3

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide (PubChem CID 17491868) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
PubChem CID17491868
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C19H19NO2/c1-13-3-6-17(11-14(13)2)20-19(21)8-5-15-4-7-18-16(12-15)9-10-22-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/b8-5+
InChIKeyIQWNHUDBVBNPQW-VMPITWQZSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.89
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-phenylprop-2-enamide
CID 17460201
(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-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 24584279
(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-[4-(sulfamoylmethyl)phenyl]prop-2-enamide
CID 24632241
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115609965
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
CID 43402766
(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)prop-2-enamide
CID 74868098
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-hydroxyethyl)phenyl]prop-2-enamide
CID 110904699
(E)-N-[1-(3-acetamidophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 55581004

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide (CID 17491868) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1C.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide?
The InChIKey is IQWNHUDBVBNPQW-VMPITWQZSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-3-6-17(11-14(13)2)20-19(21)8-5-15-4-7-18-16(12-15)9-10-22-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/b8-5+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 3.89, 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-(3,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 17491868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).