(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide

C20H17NO4 — CID 23111288

IUPAC(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
SMILESCOc1ccc2c(NC(=O)/C=C/c3ccccc3)c(C(C)=O)oc2c1
InChIInChI=1S/C20H17NO4/c1-13(22)20-19(16-10-9-15(24-2)12-17(16)25-20)21-18(23)11-8-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,23)/b11-8+
InChIKeyPNFZDXYGDLSLOX-DHZHZOJOSA-N
MW335.36 g/mol
LogP4.30
Rot. Bonds5

About (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide

(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide (PubChem CID 23111288) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
PubChem CID23111288
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
SMILESCOc1ccc2c(NC(=O)/C=C/c3ccccc3)c(C(C)=O)oc2c1
InChIInChI=1S/C20H17NO4/c1-13(22)20-19(16-10-9-15(24-2)12-17(16)25-20)21-18(23)11-8-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,23)/b11-8+
InChIKeyPNFZDXYGDLSLOX-DHZHZOJOSA-N
XLogP4.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.30
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)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide
CID 11818142
ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine
CID 142972180
(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 1341670
N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 7159740
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate
CID 16814961
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 71962835
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide (CID 23111288) is (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide is COc1ccc2c(NC(=O)/C=C/c3ccccc3)c(C(C)=O)oc2c1.
What is the InChIKey of (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide?
The InChIKey is PNFZDXYGDLSLOX-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H17NO4/c1-13(22)20-19(16-10-9-15(24-2)12-17(16)25-20)21-18(23)11-8-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,23)/b11-8+.
What are the key properties of (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide?
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide has a molecular weight of 335.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 23111288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).