N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide

C25H30N4O6 — CID 155524459

About N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide

N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide (PubChem CID 155524459) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide.

Molecular Properties

• Compound Name: N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide
• PubChem CID: 155524459
• Molecular Formula: C25H30N4O6
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.22
• IUPAC Name: N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide
• SMILES: COc1ccc(-c2noc(CN(C(=O)CCCCCCC(=O)NO)c3ccc(OC)cc3)n2)cc1
• InChI: InChI=1S/C25H30N4O6/c1-33-20-13-9-18(10-14-20)25-26-23(35-28-25)17-29(19-11-15-21(34-2)16-12-19)24(31)8-6-4-3-5-7-22(30)27-32/h9-16,32H,3-8,17H2,1-2H3,(H,27,30)
• InChIKey: JXGOYRJLOOQWDO-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 127.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide?

The IUPAC name of N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide (CID 155524459) is N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide.

What is the SMILES notation for N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide?

The canonical SMILES for N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide is COc1ccc(-c2noc(CN(C(=O)CCCCCCC(=O)NO)c3ccc(OC)cc3)n2)cc1.

What is the InChIKey of N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide?

The InChIKey is JXGOYRJLOOQWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-33-20-13-9-18(10-14-20)25-26-23(35-28-25)17-29(19-11-15-21(34-2)16-12-19)24(31)8-6-4-3-5-7-22(30)27-32/h9-16,32H,3-8,17H2,1-2H3,(H,27,30).

What are the key properties of N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide?

N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide has a molecular weight of 482.54 g/mol, XLogP of 4.13, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide is sourced from PubChem (CID 155524459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).