6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide

C48H66N4O10 — CID 59078034

About 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide

6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide (PubChem CID 59078034) has the molecular formula C48H66N4O10 and a molecular weight of 859.07 g/mol. Its IUPAC name is 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide.

Molecular Properties

• Compound Name: 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
• PubChem CID: 59078034
• Molecular Formula: C48H66N4O10
• Molecular Weight: 859.07 g/mol
• Exact Mass: 858.48
• IUPAC Name: 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
• SMILES: CCCc1c(OCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1OCCCC(=O)NCCCCC(NC)C(=O)NCC(O)C(O)C(O)C(O)CO
• InChI: InChI=1S/C48H66N4O10/c1-3-17-37-42(60-27-13-6-14-28-62-45-31-36(34-18-7-4-8-19-34)30-39(52-45)35-20-9-5-10-21-35)23-15-24-43(37)61-29-16-25-44(56)50-26-12-11-22-38(49-2)48(59)51-32-40(54)46(57)47(58)41(55)33-53/h4-5,7-10,15,18-21,23-24,30-31,38,40-41,46-47,49,53-55,57-58H,3,6,11-14,16-17,22,25-29,32-33H2,1-2H3,(H,50,56)(H,51,59)
• InChIKey: SNEREOTYUSXSOM-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 211.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	859.07
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide?

The IUPAC name of 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide (CID 59078034) is 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide.

What is the SMILES notation for 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide?

The canonical SMILES for 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide is CCCc1c(OCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1OCCCC(=O)NCCCCC(NC)C(=O)NCC(O)C(O)C(O)C(O)CO.

What is the InChIKey of 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide?

The InChIKey is SNEREOTYUSXSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H66N4O10/c1-3-17-37-42(60-27-13-6-14-28-62-45-31-36(34-18-7-4-8-19-34)30-39(52-45)35-20-9-5-10-21-35)23-15-24-43(37)61-29-16-25-44(56)50-26-12-11-22-38(49-2)48(59)51-32-40(54)46(57)47(58)41(55)33-53/h4-5,7-10,15,18-21,23-24,30-31,38,40-41,46-47,49,53-55,57-58H,3,6,11-14,16-17,22,25-29,32-33H2,1-2H3,(H,50,56)(H,51,59).

What are the key properties of 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide?

6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide has a molecular weight of 859.07 g/mol, XLogP of 4.58, 30 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-2-propylphenoxy]butanoylamino]-2-(methylamino)-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide is sourced from PubChem (CID 59078034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).