2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide

C14H17NO4 — CID 29290752

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C14H17NO4/c1-17-6-5-15-14(16)7-10-9-19-13-8-11(18-2)3-4-12(10)13/h3-4,8-9H,5-7H2,1-2H3,(H,15,16)
InChIKeyFSTHOGIQISVVNO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.75
Rot. Bonds6

About 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 29290752) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID29290752
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C14H17NO4/c1-17-6-5-15-14(16)7-10-9-19-13-8-11(18-2)3-4-12(10)13/h3-4,8-9H,5-7H2,1-2H3,(H,15,16)
InChIKeyFSTHOGIQISVVNO-UHFFFAOYSA-N
XLogP1.75
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide (CID 29290752) is 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1coc2cc(OC)ccc12.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is FSTHOGIQISVVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-17-6-5-15-14(16)7-10-9-19-13-8-11(18-2)3-4-12(10)13/h3-4,8-9H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide?
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 263.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 29290752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).