3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C24H35N3O2 — CID 17383976

About 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea

3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 17383976) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

• Compound Name: 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
• PubChem CID: 17383976
• Molecular Formula: C24H35N3O2
• Molecular Weight: 397.56 g/mol
• Exact Mass: 397.27
• IUPAC Name: 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
• SMILES: CCc1ccccc1NC(=O)N(Cc1ccc(C)o1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C24H35N3O2/c1-7-18-10-8-9-11-21(18)25-22(28)27(16-20-13-12-17(2)29-20)19-14-23(3,4)26-24(5,6)15-19/h8-13,19,26H,7,14-16H2,1-6H3,(H,25,28)
• InChIKey: BYSSTLGOMXCFQA-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 57.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.56
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?

The IUPAC name of 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 17383976) is 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

What is the SMILES notation for 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?

The canonical SMILES for 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CCc1ccccc1NC(=O)N(Cc1ccc(C)o1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?

The InChIKey is BYSSTLGOMXCFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-7-18-10-8-9-11-21(18)25-22(28)27(16-20-13-12-17(2)29-20)19-14-23(3,4)26-24(5,6)15-19/h8-13,19,26H,7,14-16H2,1-6H3,(H,25,28).

What are the key properties of 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?

3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 397.56 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 17383976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).