N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide

C28H28N4O9 — CID 102106076

About N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 102106076) has the molecular formula C28H28N4O9 and a molecular weight of 564.55 g/mol. Its IUPAC name is N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

• Compound Name: N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide
• PubChem CID: 102106076
• Molecular Formula: C28H28N4O9
• Molecular Weight: 564.55 g/mol
• Exact Mass: 564.19
• IUPAC Name: N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide
• SMILES: NNC(=O)C(CCCCNC(=O)COc1ccc2ccc(=O)oc2c1)NC(=O)COc1ccc2ccc(=O)oc2c1
• InChI: InChI=1S/C28H28N4O9/c29-32-28(37)21(31-25(34)16-39-20-9-5-18-7-11-27(36)41-23(18)14-20)3-1-2-12-30-24(33)15-38-19-8-4-17-6-10-26(35)40-22(17)13-19/h4-11,13-14,21H,1-3,12,15-16,29H2,(H,30,33)(H,31,34)(H,32,37)
• InChIKey: KQGZBANEFUBDIS-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 192.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.55
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide?

The IUPAC name of N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 102106076) is N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide.

What is the SMILES notation for N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide?

The canonical SMILES for N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide is NNC(=O)C(CCCCNC(=O)COc1ccc2ccc(=O)oc2c1)NC(=O)COc1ccc2ccc(=O)oc2c1.

What is the InChIKey of N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide?

The InChIKey is KQGZBANEFUBDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O9/c29-32-28(37)21(31-25(34)16-39-20-9-5-18-7-11-27(36)41-23(18)14-20)3-1-2-12-30-24(33)15-38-19-8-4-17-6-10-26(35)40-22(17)13-19/h4-11,13-14,21H,1-3,12,15-16,29H2,(H,30,33)(H,31,34)(H,32,37).

What are the key properties of N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide?

N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 564.55 g/mol, XLogP of 1.12, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 102106076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).