1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

C20H25N3O4 — CID 51291063

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea (PubChem CID 51291063) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
• PubChem CID: 51291063
• Molecular Formula: C20H25N3O4
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.18
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
• SMILES: O=C(NCc1ccc2c(c1)OCCO2)NCC(c1ccco1)N1CCCC1
• InChI: InChI=1S/C20H25N3O4/c24-20(21-13-15-5-6-18-19(12-15)27-11-10-26-18)22-14-16(17-4-3-9-25-17)23-7-1-2-8-23/h3-6,9,12,16H,1-2,7-8,10-11,13-14H2,(H2,21,22,24)
• InChIKey: KWBCBTWFHCXQNC-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 75.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea (CID 51291063) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea is O=C(NCc1ccc2c(c1)OCCO2)NCC(c1ccco1)N1CCCC1.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?

The InChIKey is KWBCBTWFHCXQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-20(21-13-15-5-6-18-19(12-15)27-11-10-26-18)22-14-16(17-4-3-9-25-17)23-7-1-2-8-23/h3-6,9,12,16H,1-2,7-8,10-11,13-14H2,(H2,21,22,24).

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 371.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 51291063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).