1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea

C24H27N3O2 — CID 71798231

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 71798231) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea
• PubChem CID: 71798231
• Molecular Formula: C24H27N3O2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.21
• IUPAC Name: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea
• SMILES: CN(C)C(CNC(=O)NCc1cccc2ccccc12)c1ccc2c(c1)CCO2
• InChI: InChI=1S/C24H27N3O2/c1-27(2)22(18-10-11-23-19(14-18)12-13-29-23)16-26-24(28)25-15-20-8-5-7-17-6-3-4-9-21(17)20/h3-11,14,22H,12-13,15-16H2,1-2H3,(H2,25,26,28)
• InChIKey: RZJYQEFFKLZMCU-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea?

The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea (CID 71798231) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea.

What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea?

The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea is CN(C)C(CNC(=O)NCc1cccc2ccccc12)c1ccc2c(c1)CCO2.

What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea?

The InChIKey is RZJYQEFFKLZMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(2)22(18-10-11-23-19(14-18)12-13-29-23)16-26-24(28)25-15-20-8-5-7-17-6-3-4-9-21(17)20/h3-11,14,22H,12-13,15-16H2,1-2H3,(H2,25,26,28).

What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea?

1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 389.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 71798231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).