16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one

C101H190N8O21 — CID 160776515

About 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one

16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one (PubChem CID 160776515) has the molecular formula C101H190N8O21 and a molecular weight of 1852.67 g/mol. Its IUPAC name is 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one.

Molecular Properties

• Compound Name: 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one
• PubChem CID: 160776515
• Molecular Formula: C101H190N8O21
• Molecular Weight: 1852.67 g/mol
• Exact Mass: 1851.40
• IUPAC Name: 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one
• SMILES: CC(C)(C)C(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCN=[N+]=[N-].CC(C)(C)C(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCCN=[N+]=[N-].CCCCCCCCCCCCCCCCC(=O)CCCOCCOCC(=O)C(C)(C)C
• InChI: InChI=1S/C40H74N4O10.C33H62N4O7.C28H54O4/c1-40(2,3)38(47)34-53-31-27-50-25-18-21-37(46)33-52-30-29-51-26-23-42-39(48)35-54-32-28-49-24-17-20-36(45)19-15-13-11-9-7-5-4-6-8-10-12-14-16-22-43-44-41;1-33(2,3)31(39)29-44-27-24-41-22-17-18-30(38)28-43-26-25-42-23-21-35-32(40)19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-36-37-34;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(29)21-19-22-31-23-24-32-25-27(30)28(2,3)4/h4-35H2,1-3H3,(H,42,48);4-29H2,1-3H3,(H,35,40);5-25H2,1-4H3
• InChIKey: SAAAUAXPRLIOIX-UHFFFAOYSA-N
• XLogP: 22.05
• TPSA: 385.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 99
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.67
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one?

The IUPAC name of 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one (CID 160776515) is 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one.

What is the SMILES notation for 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one?

The canonical SMILES for 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one is CC(C)(C)C(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCN=[N+]=[N-].CC(C)(C)C(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCCN=[N+]=[N-].CCCCCCCCCCCCCCCCC(=O)CCCOCCOCC(=O)C(C)(C)C.

What is the InChIKey of 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one?

The InChIKey is SAAAUAXPRLIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H74N4O10.C33H62N4O7.C28H54O4/c1-40(2,3)38(47)34-53-31-27-50-25-18-21-37(46)33-52-30-29-51-26-23-42-39(48)35-54-32-28-49-24-17-20-36(45)19-15-13-11-9-7-5-4-6-8-10-12-14-16-22-43-44-41;1-33(2,3)31(39)29-44-27-24-41-22-17-18-30(38)28-43-26-25-42-23-21-35-32(40)19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-36-37-34;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(29)21-19-22-31-23-24-32-25-27(30)28(2,3)4/h4-35H2,1-3H3,(H,42,48);4-29H2,1-3H3,(H,35,40);5-25H2,1-4H3.

What are the key properties of 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one?

16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one has a molecular weight of 1852.67 g/mol, XLogP of 22.05, 99 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one is sourced from PubChem (CID 160776515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).