N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine

C44H56N4O8 — CID 14827676

About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine (PubChem CID 14827676) has the molecular formula C44H56N4O8 and a molecular weight of 768.95 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine.

Molecular Properties

• Compound Name: N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine
• PubChem CID: 14827676
• Molecular Formula: C44H56N4O8
• Molecular Weight: 768.95 g/mol
• Exact Mass: 768.41
• IUPAC Name: N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine
• SMILES: [N-]=[N+]=NCCOCCOCCOCCNCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C44H56N4O8/c45-48-47-24-26-50-28-30-51-29-27-49-25-23-46-22-21-40-42(53-32-37-15-7-2-8-16-37)44(55-34-39-19-11-4-12-20-39)43(54-33-38-17-9-3-10-18-38)41(56-40)35-52-31-36-13-5-1-6-14-36/h1-20,40-44,46H,21-35H2/t40-,41-,42-,43-,44-/m1/s1
• InChIKey: GRUMIMMRWFOUNK-HQZUZMDCSA-N
• XLogP: 7.07
• TPSA: 134.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.95
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine?

The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine (CID 14827676) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine.

What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine?

The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine is [N-]=[N+]=NCCOCCOCCOCCNCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine?

The InChIKey is GRUMIMMRWFOUNK-HQZUZMDCSA-N. The full InChI is InChI=1S/C44H56N4O8/c45-48-47-24-26-50-28-30-51-29-27-49-25-23-46-22-21-40-42(53-32-37-15-7-2-8-16-37)44(55-34-39-19-11-4-12-20-39)43(54-33-38-17-9-3-10-18-38)41(56-40)35-52-31-36-13-5-1-6-14-36/h1-20,40-44,46H,21-35H2/t40-,41-,42-,43-,44-/m1/s1.

What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine?

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine has a molecular weight of 768.95 g/mol, XLogP of 7.07, 28 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine is sourced from PubChem (CID 14827676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).