N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane

C38H73Br2N5O9 — CID 144871745

About N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane

N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane (PubChem CID 144871745) has the molecular formula C38H73Br2N5O9 and a molecular weight of 903.84 g/mol. Its IUPAC name is N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane.

Molecular Properties

• Compound Name: N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane
• PubChem CID: 144871745
• Molecular Formula: C38H73Br2N5O9
• Molecular Weight: 903.84 g/mol
• Exact Mass: 901.38
• IUPAC Name: N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane
• SMILES: CC.CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)C(CCCNC(=O)CBr)NC(=O)CBr
• InChI: InChI=1S/C36H67Br2N5O9.C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-15-32(44)40-18-22-50-27-28-51-23-19-41-33(45)16-21-49-25-26-52-24-20-42-36(48)31(43-35(47)30-38)14-13-17-39-34(46)29-37;1-2/h31H,2-30H2,1H3,(H,39,46)(H,40,44)(H,41,45)(H,42,48)(H,43,47);1-2H3
• InChIKey: QVHJSFQBYANFQJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 182.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 38
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	903.84
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane?

The IUPAC name of N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane (CID 144871745) is N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane.

What is the SMILES notation for N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane?

The canonical SMILES for N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane is CC.CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)C(CCCNC(=O)CBr)NC(=O)CBr.

What is the InChIKey of N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane?

The InChIKey is QVHJSFQBYANFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67Br2N5O9.C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-15-32(44)40-18-22-50-27-28-51-23-19-41-33(45)16-21-49-25-26-52-24-20-42-36(48)31(43-35(47)30-38)14-13-17-39-34(46)29-37;1-2/h31H,2-30H2,1H3,(H,39,46)(H,40,44)(H,41,45)(H,42,48)(H,43,47);1-2H3.

What are the key properties of N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane?

N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane has a molecular weight of 903.84 g/mol, XLogP of 4.69, 38 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[3-[2-[2-[2,5-bis[(2-bromoacetyl)amino]pentanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]tetradecanamide;ethane is sourced from PubChem (CID 144871745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).