N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide

C23H40N6O2 — CID 102304258

About N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide

N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 102304258) has the molecular formula C23H40N6O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 102304258
• Molecular Formula: C23H40N6O2
• Molecular Weight: 432.61 g/mol
• Exact Mass: 432.32
• IUPAC Name: N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
• SMILES: NCCCNCCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C23H40N6O2/c24-10-5-13-25-11-3-4-12-26-14-6-16-29(31)17-7-15-27-23(30)18-20-19-28-22-9-2-1-8-21(20)22/h1-2,8-9,19,25-26,28,31H,3-7,10-18,24H2,(H,27,30)
• InChIKey: CRHJRZPRVAQQCC-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 118.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.61
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide?

The IUPAC name of N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide (CID 102304258) is N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide?

The canonical SMILES for N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide is NCCCNCCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12.

What is the InChIKey of N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide?

The InChIKey is CRHJRZPRVAQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N6O2/c24-10-5-13-25-11-3-4-12-26-14-6-16-29(31)17-7-15-27-23(30)18-20-19-28-22-9-2-1-8-21(20)22/h1-2,8-9,19,25-26,28,31H,3-7,10-18,24H2,(H,27,30).

What are the key properties of N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide?

N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 432.61 g/mol, XLogP of 1.61, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 102304258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).