N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide

C39H57N7O9 — CID 122214470

About N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide (PubChem CID 122214470) has the molecular formula C39H57N7O9 and a molecular weight of 767.92 g/mol. Its IUPAC name is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide.

Molecular Properties

• Compound Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
• PubChem CID: 122214470
• Molecular Formula: C39H57N7O9
• Molecular Weight: 767.92 g/mol
• Exact Mass: 767.42
• IUPAC Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)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)Cn1c2ccccc2c2ccccc21
• InChI: InChI=1S/C39H57N7O9/c1-30(47)44(53)26-12-2-9-23-40-35(48)19-21-38(51)45(54)27-13-3-10-24-41-36(49)20-22-39(52)46(55)28-14-4-11-25-42-37(50)29-43-33-17-7-5-15-31(33)32-16-6-8-18-34(32)43/h5-8,15-18,53-55H,2-4,9-14,19-29H2,1H3,(H,40,48)(H,41,49)(H,42,50)
• InChIKey: QDNRLYLSNSRMTJ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 213.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.92
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

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-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The IUPAC name of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide (CID 122214470) is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)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-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The canonical SMILES for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)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)Cn1c2ccccc2c2ccccc21.

What is the InChIKey of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The InChIKey is QDNRLYLSNSRMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57N7O9/c1-30(47)44(53)26-12-2-9-23-40-35(48)19-21-38(51)45(54)27-13-3-10-24-41-36(49)20-22-39(52)46(55)28-14-4-11-25-42-37(50)29-43-33-17-7-5-15-31(33)32-16-6-8-18-34(32)43/h5-8,15-18,53-55H,2-4,9-14,19-29H2,1H3,(H,40,48)(H,41,49)(H,42,50).

What are the key properties of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide has a molecular weight of 767.92 g/mol, XLogP of 3.89, 26 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[(2-carbazol-9-ylacetyl)amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide is sourced from PubChem (CID 122214470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).