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

C19H17NO5 — CID 2676408

IUPACmethyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1
InChIInChI=1S/C19H17NO5/c1-23-15-6-7-16-13(11-25-17(16)10-15)9-18(21)20-14-5-3-4-12(8-14)19(22)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKeyHVAQIORIMRNQHZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.41
Rot. Bonds5

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

methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate (PubChem CID 2676408) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate
PubChem CID2676408
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1
InChIInChI=1S/C19H17NO5/c1-23-15-6-7-16-13(11-25-17(16)10-15)9-18(21)20-14-5-3-4-12(8-14)19(22)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKeyHVAQIORIMRNQHZ-UHFFFAOYSA-N
XLogP3.41
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

Butyl 3-[(1-benzofuran-2-ylcarbonyl)amino]benzoate
CID 1567373
3-[[2-Benzofuranyl(oxo)methyl]amino]benzoic acid ethyl ester
CID 682562
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 2599357
N-(6,7,8,9-Tetrahydro-dibenzofuran-2-yl)-succinamic acid methyl ester
CID 6485557
N-(2,4-dimethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 797590
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2413310
4-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]amino]benzoic acid ethyl ester
CID 2481225
[2-(4-Methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538738
N-(2-ethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2590975
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
Methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate
CID 2673208
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677657

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate (CID 2676408) is methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1.
What is the InChIKey of methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate?
The InChIKey is HVAQIORIMRNQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-15-6-7-16-13(11-25-17(16)10-15)9-18(21)20-14-5-3-4-12(8-14)19(22)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate?
methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzoate has a molecular weight of 339.35 g/mol, XLogP of 3.41, 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]benzoate is sourced from PubChem (CID 2676408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).