8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide

C67H115N5O15 — CID 158687943

About 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide

8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide (PubChem CID 158687943) has the molecular formula C67H115N5O15 and a molecular weight of 1230.68 g/mol. Its IUPAC name is 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide.

Molecular Properties

• Compound Name: 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide
• PubChem CID: 158687943
• Molecular Formula: C67H115N5O15
• Molecular Weight: 1230.68 g/mol
• Exact Mass: 1229.84
• IUPAC Name: 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide
• SMILES: CC(=O)C(C)CCCCNC(=O)c1ccc(NC(=O)CCC(C)C(C)=O)cc1.CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)CCCOCCOCC(=O)NCCOCCOCC(=O)NCCCCC(CC)C(C)=O)C(=O)O
• InChI: InChI=1S/C45H83N3O11.C22H32N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-42(51)48-41(45(54)55)27-26-40(50)24-22-30-56-32-34-58-37-44(53)47-29-31-57-33-35-59-36-43(52)46-28-21-20-23-39(5-2)38(3)49;1-15(17(3)25)7-5-6-14-23-22(28)19-9-11-20(12-10-19)24-21(27)13-8-16(2)18(4)26/h39,41H,4-37H2,1-3H3,(H,46,52)(H,47,53)(H,48,51)(H,54,55);9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,28)(H,24,27)
• InChIKey: IFZASBICXIHPBE-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 288.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 57
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1230.68
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide?

The IUPAC name of 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide (CID 158687943) is 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide.

What is the SMILES notation for 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide?

The canonical SMILES for 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide is CC(=O)C(C)CCCCNC(=O)c1ccc(NC(=O)CCC(C)C(C)=O)cc1.CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)CCCOCCOCC(=O)NCCOCCOCC(=O)NCCCCC(CC)C(C)=O)C(=O)O.

What is the InChIKey of 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide?

The InChIKey is IFZASBICXIHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H83N3O11.C22H32N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-42(51)48-41(45(54)55)27-26-40(50)24-22-30-56-32-34-58-37-44(53)47-29-31-57-33-35-59-36-43(52)46-28-21-20-23-39(5-2)38(3)49;1-15(17(3)25)7-5-6-14-23-22(28)19-9-11-20(12-10-19)24-21(27)13-8-16(2)18(4)26/h39,41H,4-37H2,1-3H3,(H,46,52)(H,47,53)(H,48,51)(H,54,55);9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,28)(H,24,27).

What are the key properties of 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide?

8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide has a molecular weight of 1230.68 g/mol, XLogP of 10.79, 57 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide is sourced from PubChem (CID 158687943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).