N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium

C54H88N6O8P+ — CID 142518224

About N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium (PubChem CID 142518224) has the molecular formula C54H88N6O8P+ and a molecular weight of 980.31 g/mol. Its IUPAC name is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium.

Molecular Properties

• Compound Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium
• PubChem CID: 142518224
• Molecular Formula: C54H88N6O8P+
• Molecular Weight: 980.31 g/mol
• Exact Mass: 979.64
• IUPAC Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium
• SMILES: C1=CC([PH+](c2ccccc2)c2ccccc2)=CCC1.CCCCCCCCCCCNCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O
• InChI: InChI=1S/C36H70N6O8.C18H17P/c1-3-4-5-6-7-8-9-10-14-25-37-26-15-11-19-30-41(49)35(46)23-21-34(45)39-28-17-13-20-31-42(50)36(47)24-22-33(44)38-27-16-12-18-29-40(48)32(2)43;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h37,48-50H,3-31H2,1-2H3,(H,38,44)(H,39,45);1-2,4-8,10-15H,3,9H2/p+1
• InChIKey: WVJOFQZKYGTCRP-UHFFFAOYSA-O
• XLogP: 9.17
• TPSA: 191.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 37
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	980.31
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium?

The IUPAC name of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium (CID 142518224) is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium.

What is the SMILES notation for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium?

The canonical SMILES for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium is C1=CC([PH+](c2ccccc2)c2ccccc2)=CCC1.CCCCCCCCCCCNCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.

What is the InChIKey of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium?

The InChIKey is WVJOFQZKYGTCRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C36H70N6O8.C18H17P/c1-3-4-5-6-7-8-9-10-14-25-37-26-15-11-19-30-41(49)35(46)23-21-34(45)39-28-17-13-20-31-42(50)36(47)24-22-33(44)38-27-16-12-18-29-40(48)32(2)43;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h37,48-50H,3-31H2,1-2H3,(H,38,44)(H,39,45);1-2,4-8,10-15H,3,9H2/p+1.

What are the key properties of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium?

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium has a molecular weight of 980.31 g/mol, XLogP of 9.17, 37 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(undecylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide;cyclohexa-1,5-dien-1-yl(diphenyl)phosphanium is sourced from PubChem (CID 142518224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).