2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide

C20H20N2O6 — CID 2670545

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)Cc2coc3cc(OC)ccc23)cc1
InChIInChI=1S/C20H20N2O6/c1-25-14-3-5-15(6-4-14)27-12-20(24)22-21-19(23)9-13-11-28-18-10-16(26-2)7-8-17(13)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFMQWJUVXIMTBHX-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.22
Rot. Bonds7

About 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide

2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide (PubChem CID 2670545) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide
PubChem CID2670545
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)Cc2coc3cc(OC)ccc23)cc1
InChIInChI=1S/C20H20N2O6/c1-25-14-3-5-15(6-4-14)27-12-20(24)22-21-19(23)9-13-11-28-18-10-16(26-2)7-8-17(13)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFMQWJUVXIMTBHX-UHFFFAOYSA-N
XLogP2.22
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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-(4-methoxyphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide (CID 2670545) is 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide is COc1ccc(OCC(=O)NNC(=O)Cc2coc3cc(OC)ccc23)cc1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide?
The InChIKey is FMQWJUVXIMTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-25-14-3-5-15(6-4-14)27-12-20(24)22-21-19(23)9-13-11-28-18-10-16(26-2)7-8-17(13)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide?
2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide has a molecular weight of 384.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 2670545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).