[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

C24H24N2O5 — CID 55420490

About [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (PubChem CID 55420490) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

Molecular Properties

• Compound Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
• PubChem CID: 55420490
• Molecular Formula: C24H24N2O5
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.17
• IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
• SMILES: CC(OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)NC(=O)NCc1ccccc1
• InChI: InChI=1S/C24H24N2O5/c1-15(23(28)26-24(29)25-13-16-6-3-2-4-7-16)31-22(27)12-19-14-30-21-11-18-9-5-8-17(18)10-20(19)21/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3,(H2,25,26,28,29)
• InChIKey: JSFBBGQZSBCSFJ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 97.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (CID 55420490) is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

What is the SMILES notation for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The canonical SMILES for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is CC(OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)NC(=O)NCc1ccccc1.

What is the InChIKey of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The InChIKey is JSFBBGQZSBCSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15(23(28)26-24(29)25-13-16-6-3-2-4-7-16)31-22(27)12-19-14-30-21-11-18-9-5-8-17(18)10-20(19)21/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3,(H2,25,26,28,29).

What are the key properties of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate has a molecular weight of 420.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is sourced from PubChem (CID 55420490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).