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

C32H37ClN4O3 — CID 59998688

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

1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea (PubChem CID 59998688) has the molecular formula C32H37ClN4O3 and a molecular weight of 561.13 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
• PubChem CID: 59998688
• Molecular Formula: C32H37ClN4O3
• Molecular Weight: 561.13 g/mol
• Exact Mass: 560.26
• IUPAC Name: 1-(2-chlorophenyl)-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)Nc4ccccc4Cl)c4ccccc4)CC3)C2=O)cc1
• InChI: InChI=1S/C32H37ClN4O3/c1-40-26-13-11-24(12-14-26)23-37-22-18-32(30(37)38)16-20-36(21-17-32)19-15-28(25-7-3-2-4-8-25)34-31(39)35-29-10-6-5-9-27(29)33/h2-14,28H,15-23H2,1H3,(H2,34,35,39)
• InChIKey: RRSCYBXIHMNMHH-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.13
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea (CID 59998688) is 1-(2-chlorophenyl)-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-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea?

The canonical SMILES for 1-(2-chlorophenyl)-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)Nc4ccccc4Cl)c4ccccc4)CC3)C2=O)cc1.

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

The InChIKey is RRSCYBXIHMNMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN4O3/c1-40-26-13-11-24(12-14-26)23-37-22-18-32(30(37)38)16-20-36(21-17-32)19-15-28(25-7-3-2-4-8-25)34-31(39)35-29-10-6-5-9-27(29)33/h2-14,28H,15-23H2,1H3,(H2,34,35,39).

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

1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea has a molecular weight of 561.13 g/mol, XLogP of 6.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea is sourced from PubChem (CID 59998688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).