1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea

C32H38N4O4 — CID 142988121

About 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea

1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea (PubChem CID 142988121) has the molecular formula C32H38N4O4 and a molecular weight of 542.68 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea.

Molecular Properties

• Compound Name: 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
• PubChem CID: 142988121
• Molecular Formula: C32H38N4O4
• Molecular Weight: 542.68 g/mol
• Exact Mass: 542.29
• IUPAC Name: 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
• SMILES: COc1ccc(CN2CCC3(CCN(CCC(NC(=O)Nc4cccc(O)c4)c4ccccc4)CC3)C2=O)cc1
• InChI: InChI=1S/C32H38N4O4/c1-40-28-12-10-24(11-13-28)23-36-21-17-32(30(36)38)15-19-35(20-16-32)18-14-29(25-6-3-2-4-7-25)34-31(39)33-26-8-5-9-27(37)22-26/h2-13,22,29,37H,14-21,23H2,1H3,(H2,33,34,39)
• InChIKey: HZRBCUIIWDPLPJ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 94.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.68
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea?

The IUPAC name of 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea (CID 142988121) is 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea.

What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea?

The canonical SMILES for 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea is COc1ccc(CN2CCC3(CCN(CCC(NC(=O)Nc4cccc(O)c4)c4ccccc4)CC3)C2=O)cc1.

What is the InChIKey of 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea?

The InChIKey is HZRBCUIIWDPLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O4/c1-40-28-12-10-24(11-13-28)23-36-21-17-32(30(36)38)15-19-35(20-16-32)18-14-29(25-6-3-2-4-7-25)34-31(39)33-26-8-5-9-27(37)22-26/h2-13,22,29,37H,14-21,23H2,1H3,(H2,33,34,39).

What are the key properties of 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea?

1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea has a molecular weight of 542.68 g/mol, XLogP of 5.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea is sourced from PubChem (CID 142988121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).