3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea

C17H22N2O3 — CID 113096077

About 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea

3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea (PubChem CID 113096077) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
• PubChem CID: 113096077
• Molecular Formula: C17H22N2O3
• Molecular Weight: 302.37 g/mol
• Exact Mass: 302.16
• IUPAC Name: 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
• SMILES: CN(CCc1c2c(cc3c1OCC3)OCC2)C(=O)NC1CC1
• InChI: InChI=1S/C17H22N2O3/c1-19(17(20)18-12-2-3-12)7-4-14-13-6-9-21-15(13)10-11-5-8-22-16(11)14/h10,12H,2-9H2,1H3,(H,18,20)
• InChIKey: ZDXYQWJMAPNGEY-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.37
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?

The IUPAC name of 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea (CID 113096077) is 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea.

What is the SMILES notation for 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?

The canonical SMILES for 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea is CN(CCc1c2c(cc3c1OCC3)OCC2)C(=O)NC1CC1.

What is the InChIKey of 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?

The InChIKey is ZDXYQWJMAPNGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19(17(20)18-12-2-3-12)7-4-14-13-6-9-21-15(13)10-11-5-8-22-16(11)14/h10,12H,2-9H2,1H3,(H,18,20).

What are the key properties of 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?

3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea has a molecular weight of 302.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea is sourced from PubChem (CID 113096077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).