N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide

C50H92N10O17 — CID 118297655

About N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide

N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide (PubChem CID 118297655) has the molecular formula C50H92N10O17 and a molecular weight of 1105.34 g/mol. Its IUPAC name is N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide.

Molecular Properties

• Compound Name: N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide
• PubChem CID: 118297655
• Molecular Formula: C50H92N10O17
• Molecular Weight: 1105.34 g/mol
• Exact Mass: 1104.66
• IUPAC Name: N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide
• SMILES: NNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCN(CCCOCCOCCOCCCN1C(=O)C=CC1=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NN
• InChI: InChI=1S/C50H92N10O17/c51-57-47(65)11-1-9-43(61)53-17-3-25-69-31-37-75-39-33-71-27-5-19-55-45(63)15-23-59(21-7-29-73-35-41-77-42-36-74-30-8-22-60-49(67)13-14-50(60)68)24-16-46(64)56-20-6-28-72-34-40-76-38-32-70-26-4-18-54-44(62)10-2-12-48(66)58-52/h13-14H,1-12,15-42,51-52H2,(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,66)
• InChIKey: CFAXREPOEFJUKC-UHFFFAOYSA-N
• XLogP: -1.73
• TPSA: 350.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 56
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.34
LogP ≤ 5	-1.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide?

The IUPAC name of N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide (CID 118297655) is N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide.

What is the SMILES notation for N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide?

The canonical SMILES for N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide is NNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCN(CCCOCCOCCOCCCN1C(=O)C=CC1=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NN.

What is the InChIKey of N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide?

The InChIKey is CFAXREPOEFJUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H92N10O17/c51-57-47(65)11-1-9-43(61)53-17-3-25-69-31-37-75-39-33-71-27-5-19-55-45(63)15-23-59(21-7-29-73-35-41-77-42-36-74-30-8-22-60-49(67)13-14-50(60)68)24-16-46(64)56-20-6-28-72-34-40-76-38-32-70-26-4-18-54-44(62)10-2-12-48(66)58-52/h13-14H,1-12,15-42,51-52H2,(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,66).

What are the key properties of N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide?

N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide has a molecular weight of 1105.34 g/mol, XLogP of -1.73, 56 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[2-[3-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propyl-[3-[3-[2-[2-[3-[(5-hydrazinyl-5-oxopentanoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]amino]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-hydrazinyl-5-oxopentanamide is sourced from PubChem (CID 118297655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).