1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C17H20N2O4 — CID 109399086

About 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 109399086) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

• Compound Name: 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
• PubChem CID: 109399086
• Molecular Formula: C17H20N2O4
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.14
• IUPAC Name: 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
• SMILES: CC(NC(=O)NCC(O)c1ccco1)C1COc2ccccc21
• InChI: InChI=1S/C17H20N2O4/c1-11(13-10-23-15-6-3-2-5-12(13)15)19-17(21)18-9-14(20)16-7-4-8-22-16/h2-8,11,13-14,20H,9-10H2,1H3,(H2,18,19,21)
• InChIKey: RPLOQNVTNIBVKM-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 83.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?

The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 109399086) is 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?

The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is CC(NC(=O)NCC(O)c1ccco1)C1COc2ccccc21.

What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?

The InChIKey is RPLOQNVTNIBVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(13-10-23-15-6-3-2-5-12(13)15)19-17(21)18-9-14(20)16-7-4-8-22-16/h2-8,11,13-14,20H,9-10H2,1H3,(H2,18,19,21).

What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?

1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 316.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 109399086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).