(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

C22H22N2O4 — CID 51370925

IUPAC(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1ccc2oc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1
InChIInChI=1S/C22H22N2O4/c1-26-19-6-8-21-16(14-19)15-20(28-21)7-9-22(25)23-17-2-4-18(5-3-17)24-10-12-27-13-11-24/h2-9,14-15H,10-13H2,1H3,(H,23,25)/b9-7+
InChIKeyZAKAARBCGOIKMY-VQHVLOKHSA-N
MW378.43 g/mol
LogP3.93
Rot. Bonds5

About (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 51370925) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID51370925
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1ccc2oc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1
InChIInChI=1S/C22H22N2O4/c1-26-19-6-8-21-16(14-19)15-20(28-21)7-9-22(25)23-17-2-4-18(5-3-17)24-10-12-27-13-11-24/h2-9,14-15H,10-13H2,1H3,(H,23,25)/b9-7+
InChIKeyZAKAARBCGOIKMY-VQHVLOKHSA-N
XLogP3.93
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920
3-(4-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide
CID 3468232
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 5188502
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 28923789

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide (CID 51370925) is (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide is COc1ccc2oc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1.
What is the InChIKey of (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is ZAKAARBCGOIKMY-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-6-8-21-16(14-19)15-20(28-21)7-9-22(25)23-17-2-4-18(5-3-17)24-10-12-27-13-11-24/h2-9,14-15H,10-13H2,1H3,(H,23,25)/b9-7+.
What are the key properties of (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 378.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 51370925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).