(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide

C19H20N2O3 — CID 75364562

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(OC)nc1
InChIInChI=1S/C19H20N2O3/c1-3-21(16-6-8-18(23-2)20-13-16)19(22)9-5-14-4-7-17-15(12-14)10-11-24-17/h4-9,12-13H,3,10-11H2,1-2H3/b9-5+
InChIKeyUVTFYSLRUUFEPX-WEVVVXLNSA-N
MW324.38 g/mol
LogP3.09
Rot. Bonds5

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide (PubChem CID 75364562) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide
PubChem CID75364562
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(OC)nc1
InChIInChI=1S/C19H20N2O3/c1-3-21(16-6-8-18(23-2)20-13-16)19(22)9-5-14-4-7-17-15(12-14)10-11-24-17/h4-9,12-13H,3,10-11H2,1-2H3/b9-5+
InChIKeyUVTFYSLRUUFEPX-WEVVVXLNSA-N
XLogP3.09
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide with MolForge

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Related Compounds

methyl 2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-ethylamino]acetate
CID 76899075
2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-methylamino]butanoic acid
CID 76930433
propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 112725026
3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 154797024
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
(E,4R)-6-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-3-pyridinyl]-4-methylhex-5-en-2-one
CID 159300255
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 111695649
N-ethyl-N-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 95905024
(2S)-3-[[(Z)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 129410093
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 115673385
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 17462318

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide (CID 75364562) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide is CCN(C(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(OC)nc1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is UVTFYSLRUUFEPX-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-21(16-6-8-18(23-2)20-13-16)19(22)9-5-14-4-7-17-15(12-14)10-11-24-17/h4-9,12-13H,3,10-11H2,1-2H3/b9-5+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 75364562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).