N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide

C81H116Cl2N6O8P2 — CID 153461613

About N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide (PubChem CID 153461613) has the molecular formula C81H116Cl2N6O8P2 and a molecular weight of 1434.71 g/mol. Its IUPAC name is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide.

Molecular Properties

• Compound Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
• PubChem CID: 153461613
• Molecular Formula: C81H116Cl2N6O8P2
• Molecular Weight: 1434.71 g/mol
• Exact Mass: 1432.77
• IUPAC Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]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)CCCCCN(CCCCCCCCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCCCCCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C81H116Cl2N6O8P2/c1-71(90)87(95)66-40-20-35-61-84-78(91)57-59-80(93)88(96)67-41-21-36-62-85-79(92)58-60-81(94)89(97)68-42-22-39-65-86(63-37-10-6-2-4-8-12-43-69-98(82,72-45-23-14-24-46-72,73-47-25-15-26-48-73)74-49-27-16-28-50-74)64-38-11-7-3-5-9-13-44-70-99(83,75-51-29-17-30-52-75,76-53-31-18-32-54-76)77-55-33-19-34-56-77/h14-19,23-34,45-56,95-97H,2-13,20-22,35-44,57-70H2,1H3,(H,84,91)(H,85,92)
• InChIKey: MXMZXXGAKHDBMA-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 183.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 52
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1434.71
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	5
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The IUPAC name of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide (CID 153461613) is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]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-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The canonical SMILES for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]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)CCCCCN(CCCCCCCCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCCCCCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The InChIKey is MXMZXXGAKHDBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H116Cl2N6O8P2/c1-71(90)87(95)66-40-20-35-61-84-78(91)57-59-80(93)88(96)67-41-21-36-62-85-79(92)58-60-81(94)89(97)68-42-22-39-65-86(63-37-10-6-2-4-8-12-43-69-98(82,72-45-23-14-24-46-72,73-47-25-15-26-48-73)74-49-27-16-28-50-74)64-38-11-7-3-5-9-13-44-70-99(83,75-51-29-17-30-52-75,76-53-31-18-32-54-76)77-55-33-19-34-56-77/h14-19,23-34,45-56,95-97H,2-13,20-22,35-44,57-70H2,1H3,(H,84,91)(H,85,92).

What are the key properties of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide has a molecular weight of 1434.71 g/mol, XLogP of 15.87, 52 rotatable bonds, 5 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-[bis[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide is sourced from PubChem (CID 153461613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).