1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea

C19H23N3O3 — CID 51116943

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 51116943) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
• PubChem CID: 51116943
• Molecular Formula: C19H23N3O3
• Molecular Weight: 341.41 g/mol
• Exact Mass: 341.17
• IUPAC Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
• SMILES: CC(C)Oc1ccc(CNC(=O)NCC2Cc3ccccc3O2)cn1
• InChI: InChI=1S/C19H23N3O3/c1-13(2)24-18-8-7-14(10-20-18)11-21-19(23)22-12-16-9-15-5-3-4-6-17(15)25-16/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,21,22,23)
• InChIKey: CEDWYUPLCIPGIJ-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.41
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?

The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 51116943) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is CC(C)Oc1ccc(CNC(=O)NCC2Cc3ccccc3O2)cn1.

What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?

The InChIKey is CEDWYUPLCIPGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)24-18-8-7-14(10-20-18)11-21-19(23)22-12-16-9-15-5-3-4-6-17(15)25-16/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,21,22,23).

What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 341.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51116943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).