N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide

C37H64N6O9 — CID 42599650

About N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide (PubChem CID 42599650) has the molecular formula C37H64N6O9 and a molecular weight of 736.95 g/mol. Its IUPAC name is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide.

Molecular Properties

• Compound Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
• PubChem CID: 42599650
• Molecular Formula: C37H64N6O9
• Molecular Weight: 736.95 g/mol
• Exact Mass: 736.47
• IUPAC Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
• SMILES: CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C37H64N6O9/c1-28(44)41(50)18-8-2-5-15-38-32(45)11-13-35(48)42(51)19-9-3-6-16-39-33(46)12-14-36(49)43(52)20-10-4-7-17-40-34(47)27-37-24-29-21-30(25-37)23-31(22-29)26-37/h29-31,50-52H,2-27H2,1H3,(H,38,45)(H,39,46)(H,40,47)
• InChIKey: PXJFHVILPRXSAD-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 208.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 26
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.95
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

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-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The IUPAC name of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide (CID 42599650) is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide.

What is the SMILES notation for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The canonical SMILES for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide is CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2.

What is the InChIKey of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The InChIKey is PXJFHVILPRXSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H64N6O9/c1-28(44)41(50)18-8-2-5-15-38-32(45)11-13-35(48)42(51)19-9-3-6-16-39-33(46)12-14-36(49)43(52)20-10-4-7-17-40-34(47)27-37-24-29-21-30(25-37)23-31(22-29)26-37/h29-31,50-52H,2-27H2,1H3,(H,38,45)(H,39,46)(H,40,47).

What are the key properties of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide has a molecular weight of 736.95 g/mol, XLogP of 3.69, 26 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[2-(1-adamantyl)acetyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide is sourced from PubChem (CID 42599650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).