1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea

C21H24N2O3 — CID 166217261

About 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea

1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea (PubChem CID 166217261) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
• PubChem CID: 166217261
• Molecular Formula: C21H24N2O3
• Molecular Weight: 352.43 g/mol
• Exact Mass: 352.18
• IUPAC Name: 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
• SMILES: O=C(NCC1(O)CCCc2ccccc21)NC1CCc2c(O)cccc21
• InChI: InChI=1S/C21H24N2O3/c24-19-9-3-7-15-16(19)10-11-18(15)23-20(25)22-13-21(26)12-4-6-14-5-1-2-8-17(14)21/h1-3,5,7-9,18,24,26H,4,6,10-13H2,(H2,22,23,25)
• InChIKey: NPFVVOGZYJSZEP-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 81.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.43
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?

The IUPAC name of 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea (CID 166217261) is 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea.

What is the SMILES notation for 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?

The canonical SMILES for 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea is O=C(NCC1(O)CCCc2ccccc21)NC1CCc2c(O)cccc21.

What is the InChIKey of 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?

The InChIKey is NPFVVOGZYJSZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-19-9-3-7-15-16(19)10-11-18(15)23-20(25)22-13-21(26)12-4-6-14-5-1-2-8-17(14)21/h1-3,5,7-9,18,24,26H,4,6,10-13H2,(H2,22,23,25).

What are the key properties of 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?

1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea has a molecular weight of 352.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea is sourced from PubChem (CID 166217261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).