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

C20H23NO6 — CID 33242600

IUPACdiethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)OCC
InChIInChI=1S/C20H23NO6/c1-3-25-19(23)18(20(24)26-4-2)21-17(22)10-14-11-27-16-9-13-7-5-6-12(13)8-15(14)16/h8-9,11,18H,3-7,10H2,1-2H3,(H,21,22)
InChIKeyYBHYHBWZYCGBSX-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.08
Rot. Bonds7

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

diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate (PubChem CID 33242600) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate
PubChem CID33242600
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namediethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)OCC
InChIInChI=1S/C20H23NO6/c1-3-25-19(23)18(20(24)26-4-2)21-17(22)10-14-11-27-16-9-13-7-5-6-12(13)8-15(14)16/h8-9,11,18H,3-7,10H2,1-2H3,(H,21,22)
InChIKeyYBHYHBWZYCGBSX-UHFFFAOYSA-N
XLogP2.08
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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

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Related Compounds

(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid
CID 119244207
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199364
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-ethoxypropyl)acetamide
CID 29292252
N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 29292447
(E)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]hex-4-enoic acid
CID 120693190
N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide
CID 55675441
3-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119237147
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33111138
methyl (2S)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40872866
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26444960
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 55982508

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate?
The IUPAC name of diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate (CID 33242600) is diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate.
What is the SMILES notation for diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate?
The canonical SMILES for diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate is CCOC(=O)C(NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)OCC.
What is the InChIKey of diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate?
The InChIKey is YBHYHBWZYCGBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-25-19(23)18(20(24)26-4-2)21-17(22)10-14-11-27-16-9-13-7-5-6-12(13)8-15(14)16/h8-9,11,18H,3-7,10H2,1-2H3,(H,21,22).
What are the key properties of diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate?
diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate has a molecular weight of 373.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate is sourced from PubChem (CID 33242600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).