ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate

C22H21NO4 — CID 2481225

IUPACethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C22H21NO4/c1-2-26-22(25)14-6-8-18(9-7-14)23-21(24)12-17-13-27-20-11-16-5-3-4-15(16)10-19(17)20/h6-11,13H,2-5,12H2,1H3,(H,23,24)
InChIKeyPYICDVDDADZRRP-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.28
Rot. Bonds5

About ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate

ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate (PubChem CID 2481225) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate
PubChem CID2481225
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Nameethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C22H21NO4/c1-2-26-22(25)14-6-8-18(9-7-14)23-21(24)12-17-13-27-20-11-16-5-3-4-15(16)10-19(17)20/h6-11,13H,2-5,12H2,1H3,(H,23,24)
InChIKeyPYICDVDDADZRRP-UHFFFAOYSA-N
XLogP4.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-Benzofuran-4-ylmethyl-phenyl)-butyramide
CID 44264909
N-(6,7,8,9-Tetrahydro-dibenzofuran-2-yl)-succinamic acid methyl ester
CID 6485557
N-(2,5-dimethoxyphenyl)-2-naphtho[2,1-b]furan-1-ylacetamide
CID 1285221
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2081485
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2413310
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
3-[[2-(6-Methoxy-3-benzofuranyl)-1-oxoethyl]amino]benzoic acid methyl ester
CID 2676408
N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 4885289
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7535641
N-(4-ethoxyphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 16012807

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate (CID 2481225) is ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1.
What is the InChIKey of ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate?
The InChIKey is PYICDVDDADZRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-2-26-22(25)14-6-8-18(9-7-14)23-21(24)12-17-13-27-20-11-16-5-3-4-15(16)10-19(17)20/h6-11,13H,2-5,12H2,1H3,(H,23,24).
What are the key properties of ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate has a molecular weight of 363.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 2481225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).