(E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide

C19H21NO4 — CID 17493911

IUPAC(E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCOc1cc2c(cc1NC(=O)/C=C/c1ccc(C)o1)OC(C)C2
InChIInChI=1S/C19H21NO4/c1-4-22-18-10-14-9-13(3)24-17(14)11-16(18)20-19(21)8-7-15-6-5-12(2)23-15/h5-8,10-11,13H,4,9H2,1-3H3,(H,20,21)/b8-7+
InChIKeyYLMDXKQJQJFJEG-BQYQJAHWSA-N
MW327.38 g/mol
LogP3.96
Rot. Bonds5

About (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 17493911) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID17493911
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCOc1cc2c(cc1NC(=O)/C=C/c1ccc(C)o1)OC(C)C2
InChIInChI=1S/C19H21NO4/c1-4-22-18-10-14-9-13(3)24-17(14)11-16(18)20-19(21)8-7-15-6-5-12(2)23-15/h5-8,10-11,13H,4,9H2,1-3H3,(H,20,21)/b8-7+
InChIKeyYLMDXKQJQJFJEG-BQYQJAHWSA-N
XLogP3.96
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide
CID 42923371
(E)-N-(2-bromophenyl)-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide
CID 42999789
methyl 3-[[(E)-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enoyl]amino]-4-methylbenzoate
CID 55339328
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide
CID 42999528
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-ethylprop-2-enamide
CID 75266200
(E)-N-(4-acetylphenyl)-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide
CID 42999458
(E)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide
CID 43000049
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methoxypropanamide
CID 106112484

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 17493911) is (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide is CCOc1cc2c(cc1NC(=O)/C=C/c1ccc(C)o1)OC(C)C2.
What is the InChIKey of (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is YLMDXKQJQJFJEG-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-22-18-10-14-9-13(3)24-17(14)11-16(18)20-19(21)8-7-15-6-5-12(2)23-15/h5-8,10-11,13H,4,9H2,1-3H3,(H,20,21)/b8-7+.
What are the key properties of (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 17493911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).