N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide

C64H133N13O20 — CID 102362267

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide (PubChem CID 102362267) has the molecular formula C64H133N13O20 and a molecular weight of 1404.84 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide
• PubChem CID: 102362267
• Molecular Formula: C64H133N13O20
• Molecular Weight: 1404.84 g/mol
• Exact Mass: 1403.98
• IUPAC Name: N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide
• SMILES: NCCCOCCOCCOCCCNC(=O)CN(CCN(CC(=O)NCCCOCCOCCOCCCN)CC(=O)NCCCOCCOCCOCCCN)CCN(CC(=O)NCCCOCCOCCOCCCN)CC(=O)NCCCOCCOCCOCCCN
• InChI: InChI=1S/C64H133N13O20/c65-11-1-25-83-35-45-93-50-40-88-30-6-16-70-60(78)55-75(21-23-76(56-61(79)71-17-7-31-89-41-51-94-46-36-84-26-2-12-66)57-62(80)72-18-8-32-90-42-52-95-47-37-85-27-3-13-67)22-24-77(58-63(81)73-19-9-33-91-43-53-96-48-38-86-28-4-14-68)59-64(82)74-20-10-34-92-44-54-97-49-39-87-29-5-15-69/h1-59,65-69H2,(H,70,78)(H,71,79)(H,72,80)(H,73,81)(H,74,82)
• InChIKey: NPXISRJWSGGRHV-UHFFFAOYSA-N
• XLogP: -3.58
• TPSA: 423.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 81
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1404.84
LogP ≤ 5	-3.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide?

The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide (CID 102362267) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide.

What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide?

The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide is NCCCOCCOCCOCCCNC(=O)CN(CCN(CC(=O)NCCCOCCOCCOCCCN)CC(=O)NCCCOCCOCCOCCCN)CCN(CC(=O)NCCCOCCOCCOCCCN)CC(=O)NCCCOCCOCCOCCCN.

What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide?

The InChIKey is NPXISRJWSGGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H133N13O20/c65-11-1-25-83-35-45-93-50-40-88-30-6-16-70-60(78)55-75(21-23-76(56-61(79)71-17-7-31-89-41-51-94-46-36-84-26-2-12-66)57-62(80)72-18-8-32-90-42-52-95-47-37-85-27-3-13-67)22-24-77(58-63(81)73-19-9-33-91-43-53-96-48-38-86-28-4-14-68)59-64(82)74-20-10-34-92-44-54-97-49-39-87-29-5-15-69/h1-59,65-69H2,(H,70,78)(H,71,79)(H,72,80)(H,73,81)(H,74,82).

What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide?

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide has a molecular weight of 1404.84 g/mol, XLogP of -3.58, 81 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[bis[2-[bis[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 102362267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).