(2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide

C80H150N6O16 — CID 163997973

About (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide

(2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide (PubChem CID 163997973) has the molecular formula C80H150N6O16 and a molecular weight of 1452.11 g/mol. Its IUPAC name is (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide.

Molecular Properties

• Compound Name: (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide
• PubChem CID: 163997973
• Molecular Formula: C80H150N6O16
• Molecular Weight: 1452.11 g/mol
• Exact Mass: 1451.11
• IUPAC Name: (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide
• SMILES: CCCCCCCCCCCC(=O)NCCC(=O)NCCCC[C@H](NC(C)(C)C)C(=O)C(C)(C)C.CCCCCCCCCCCCCCCCC(=O)CC(CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)NCCCC[C@H](NC(C)(C)C)C(=O)C(C)(C)C)C(=O)O.O=C=O
• InChI: InChI=1S/C50H93N3O11.C29H57N3O3.CO2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(54)38-41(48(59)60)28-29-45(56)52-31-33-62-35-36-63-39-43(55)26-24-32-61-34-37-64-40-46(57)51-30-23-22-27-44(53-50(5,6)7)47(58)49(2,3)4;1-8-9-10-11-12-13-14-15-16-20-25(33)31-23-21-26(34)30-22-18-17-19-24(32-29(5,6)7)27(35)28(2,3)4;2-1-3/h41,44,53H,8-40H2,1-7H3,(H,51,57)(H,52,56)(H,59,60);24,32H,8-23H2,1-7H3,(H,30,34)(H,31,33);/t41?,44-;24-;/m00./s1
• InChIKey: UGJSRBXLTDUWPN-HAYQBOHWSA-N
• XLogP: 13.98
• TPSA: 317.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 65
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1452.11
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide?

The IUPAC name of (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide (CID 163997973) is (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide.

What is the SMILES notation for (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide?

The canonical SMILES for (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide is CCCCCCCCCCCC(=O)NCCC(=O)NCCCC[C@H](NC(C)(C)C)C(=O)C(C)(C)C.CCCCCCCCCCCCCCCCC(=O)CC(CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)NCCCC[C@H](NC(C)(C)C)C(=O)C(C)(C)C)C(=O)O.O=C=O.

What is the InChIKey of (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide?

The InChIKey is UGJSRBXLTDUWPN-HAYQBOHWSA-N. The full InChI is InChI=1S/C50H93N3O11.C29H57N3O3.CO2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(54)38-41(48(59)60)28-29-45(56)52-31-33-62-35-36-63-39-43(55)26-24-32-61-34-37-64-40-46(57)51-30-23-22-27-44(53-50(5,6)7)47(58)49(2,3)4;1-8-9-10-11-12-13-14-15-16-20-25(33)31-23-21-26(34)30-22-18-17-19-24(32-29(5,6)7)27(35)28(2,3)4;2-1-3/h41,44,53H,8-40H2,1-7H3,(H,51,57)(H,52,56)(H,59,60);24,32H,8-23H2,1-7H3,(H,30,34)(H,31,33);/t41?,44-;24-;/m00./s1.

What are the key properties of (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide?

(2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide has a molecular weight of 1452.11 g/mol, XLogP of 13.98, 65 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[3-[2-[2-[5-[2-[2-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxoicosanoic acid;N-[3-[[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]amino]-3-oxopropyl]dodecanamide;carbon dioxide is sourced from PubChem (CID 163997973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).