methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate

C20H19NO5 — CID 2673208

IUPACmethyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(OC)ccc23)c1
InChIInChI=1S/C20H19NO5/c1-12-4-5-13(20(23)25-3)8-17(12)21-19(22)9-14-11-26-18-10-15(24-2)6-7-16(14)18/h4-8,10-11H,9H2,1-3H3,(H,21,22)
InChIKeyHGXLTFDZANANEQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.72
Rot. Bonds5

About methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate

methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate (PubChem CID 2673208) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate
PubChem CID2673208
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(OC)ccc23)c1
InChIInChI=1S/C20H19NO5/c1-12-4-5-13(20(23)25-3)8-17(12)21-19(22)9-14-11-26-18-10-15(24-2)6-7-16(14)18/h4-8,10-11H,9H2,1-3H3,(H,21,22)
InChIKeyHGXLTFDZANANEQ-UHFFFAOYSA-N
XLogP3.72
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate (CID 2673208) is methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(OC)ccc23)c1.
What is the InChIKey of methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate?
The InChIKey is HGXLTFDZANANEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12-4-5-13(20(23)25-3)8-17(12)21-19(22)9-14-11-26-18-10-15(24-2)6-7-16(14)18/h4-8,10-11H,9H2,1-3H3,(H,21,22).
What are the key properties of methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate has a molecular weight of 353.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 2673208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).