N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide

C33H55N7O11 — CID 42599887

About N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide (PubChem CID 42599887) has the molecular formula C33H55N7O11 and a molecular weight of 725.84 g/mol. Its IUPAC name is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide.

Molecular Properties

• Compound Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
• PubChem CID: 42599887
• Molecular Formula: C33H55N7O11
• Molecular Weight: 725.84 g/mol
• Exact Mass: 725.40
• IUPAC Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
• SMILES: CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)Cn1ccc(=O)c(O)c1C
• InChI: InChI=1S/C33H55N7O11/c1-25-33(48)27(42)16-23-37(25)24-30(45)36-19-8-5-11-22-40(51)32(47)15-13-29(44)35-18-7-4-10-21-39(50)31(46)14-12-28(43)34-17-6-3-9-20-38(49)26(2)41/h16,23,48-51H,3-15,17-22,24H2,1-2H3,(H,34,43)(H,35,44)(H,36,45)
• InChIKey: PQNPMTQRXRPPPD-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 251.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	725.84
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

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'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide?

The IUPAC name of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide (CID 42599887) is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide.

What is the SMILES notation for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide?

The canonical SMILES for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide is CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)Cn1ccc(=O)c(O)c1C.

What is the InChIKey of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide?

The InChIKey is PQNPMTQRXRPPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55N7O11/c1-25-33(48)27(42)16-23-37(25)24-30(45)36-19-8-5-11-22-40(51)32(47)15-13-29(44)35-18-7-4-10-21-39(50)31(46)14-12-28(43)34-17-6-3-9-20-38(49)26(2)41/h16,23,48-51H,3-15,17-22,24H2,1-2H3,(H,34,43)(H,35,44)(H,36,45).

What are the key properties of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide?

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide has a molecular weight of 725.84 g/mol, XLogP of 0.96, 26 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide is sourced from PubChem (CID 42599887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).