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

C19H17NO4 — CID 2676406

IUPACmethyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1
InChIInChI=1S/C19H17NO4/c1-12-6-7-16-14(11-24-17(16)8-12)10-18(21)20-15-5-3-4-13(9-15)19(22)23-2/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyVNJUJVKZFBNVHQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.71
Rot. Bonds4

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

methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate (PubChem CID 2676406) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
PubChem CID2676406
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1
InChIInChI=1S/C19H17NO4/c1-12-6-7-16-14(11-24-17(16)8-12)10-18(21)20-15-5-3-4-13(9-15)19(22)23-2/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyVNJUJVKZFBNVHQ-UHFFFAOYSA-N
XLogP3.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
N-[3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678884
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 8525344
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180290
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate (CID 2676406) is methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1.
What is the InChIKey of methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate?
The InChIKey is VNJUJVKZFBNVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-6-7-16-14(11-24-17(16)8-12)10-18(21)20-15-5-3-4-13(9-15)19(22)23-2/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate?
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 2676406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).