1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea

C19H24N2O3 — CID 110893540

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea (PubChem CID 110893540) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
• PubChem CID: 110893540
• Molecular Formula: C19H24N2O3
• Molecular Weight: 328.41 g/mol
• Exact Mass: 328.18
• IUPAC Name: 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
• SMILES: CC(NC(=O)NCC(O)c1ccco1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C19H24N2O3/c1-13(15-9-8-14-5-2-3-6-16(14)11-15)21-19(23)20-12-17(22)18-7-4-10-24-18/h4,7-11,13,17,22H,2-3,5-6,12H2,1H3,(H2,20,21,23)
• InChIKey: IGZMKXKFLBVJEA-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 74.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.41
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?

The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea (CID 110893540) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea.

What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?

The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea is CC(NC(=O)NCC(O)c1ccco1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?

The InChIKey is IGZMKXKFLBVJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(15-9-8-14-5-2-3-6-16(14)11-15)21-19(23)20-12-17(22)18-7-4-10-24-18/h4,7-11,13,17,22H,2-3,5-6,12H2,1H3,(H2,20,21,23).

What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea is sourced from PubChem (CID 110893540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).