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

C15H15NO4 — CID 11818142

IUPAC(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1c(C(C)=O)oc2cc(OC)ccc12
InChIInChI=1S/C15H15NO4/c1-4-5-13(18)16-14-11-7-6-10(19-3)8-12(11)20-15(14)9(2)17/h4-8H,1-3H3,(H,16,18)/b5-4+
InChIKeyJCSRSEJWPFLZCK-SNAWJCMRSA-N
MW273.29 g/mol
LogP3.16
Rot. Bonds4

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

(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide (PubChem CID 11818142) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide
PubChem CID11818142
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1c(C(C)=O)oc2cc(OC)ccc12
InChIInChI=1S/C15H15NO4/c1-4-5-13(18)16-14-11-7-6-10(19-3)8-12(11)20-15(14)9(2)17/h4-8H,1-3H3,(H,16,18)/b5-4+
InChIKeyJCSRSEJWPFLZCK-SNAWJCMRSA-N
XLogP3.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.16
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)-3-phenylprop-2-enamide
CID 23111288
ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine
CID 142972180
3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide
CID 23148999
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
CID 44579692
(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
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055
N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
CID 88798490
1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
CID 82372714
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide?
The IUPAC name of (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide (CID 11818142) is (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide?
The canonical SMILES for (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide is C/C=C/C(=O)Nc1c(C(C)=O)oc2cc(OC)ccc12.
What is the InChIKey of (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide?
The InChIKey is JCSRSEJWPFLZCK-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H15NO4/c1-4-5-13(18)16-14-11-7-6-10(19-3)8-12(11)20-15(14)9(2)17/h4-8H,1-3H3,(H,16,18)/b5-4+.
What are the key properties of (E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide?
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide has a molecular weight of 273.29 g/mol, XLogP of 3.16, 4 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)but-2-enamide is sourced from PubChem (CID 11818142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).