1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea

C24H25N3O3 — CID 86952310

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (PubChem CID 86952310) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.

Molecular Properties

• Compound Name: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
• PubChem CID: 86952310
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
• SMILES: O=C(NCCc1ccc2c(c1)CCO2)NCc1ccc(OCc2ccccn2)cc1
• InChI: InChI=1S/C24H25N3O3/c28-24(26-13-10-18-6-9-23-20(15-18)11-14-29-23)27-16-19-4-7-22(8-5-19)30-17-21-3-1-2-12-25-21/h1-9,12,15H,10-11,13-14,16-17H2,(H2,26,27,28)
• InChIKey: CHFXHEDWZNRMNL-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?

The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (CID 86952310) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.

What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?

The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is O=C(NCCc1ccc2c(c1)CCO2)NCc1ccc(OCc2ccccn2)cc1.

What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?

The InChIKey is CHFXHEDWZNRMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-24(26-13-10-18-6-9-23-20(15-18)11-14-29-23)27-16-19-4-7-22(8-5-19)30-17-21-3-1-2-12-25-21/h1-9,12,15H,10-11,13-14,16-17H2,(H2,26,27,28).

What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea has a molecular weight of 403.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is sourced from PubChem (CID 86952310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).