12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide

C72H144N2O3 — CID 158068509

IUPAC12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCNCCCCCNC(=O)CCCCCCCCCCCO
InChIInChI=1S/C72H144N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-48-51-57-64-71(76)65-58-53-54-60-67-73-68-61-56-62-69-74-72(77)66-59-52-49-46-44-47-50-55-63-70-75/h73,75H,2-70H2,1H3,(H,74,77)
InChIKeyFLNJHNBJXKEAIY-UHFFFAOYSA-N
MW1085.95 g/mol
LogP23.63
Rot. Bonds71

About 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide

12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide (PubChem CID 158068509) has the molecular formula C72H144N2O3 and a molecular weight of 1085.95 g/mol. Its IUPAC name is 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide.

Molecular Properties

Compound Name12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
PubChem CID158068509
Molecular FormulaC72H144N2O3
Molecular Weight1085.95 g/mol
Exact Mass1085.12
IUPAC Name12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCNCCCCCNC(=O)CCCCCCCCCCCO
InChIInChI=1S/C72H144N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-48-51-57-64-71(76)65-58-53-54-60-67-73-68-61-56-62-69-74-72(77)66-59-52-49-46-44-47-50-55-63-70-75/h73,75H,2-70H2,1H3,(H,74,77)
InChIKeyFLNJHNBJXKEAIY-UHFFFAOYSA-N
XLogP23.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds71
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.95
LogP ≤ 523.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 100934326
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Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide?
The IUPAC name of 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide (CID 158068509) is 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide.
What is the SMILES notation for 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide?
The canonical SMILES for 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCNCCCCCNC(=O)CCCCCCCCCCCO.
What is the InChIKey of 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide?
The InChIKey is FLNJHNBJXKEAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H144N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-48-51-57-64-71(76)65-58-53-54-60-67-73-68-61-56-62-69-74-72(77)66-59-52-49-46-44-47-50-55-63-70-75/h73,75H,2-70H2,1H3,(H,74,77).
What are the key properties of 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide?
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide has a molecular weight of 1085.95 g/mol, XLogP of 23.63, 71 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide is sourced from PubChem (CID 158068509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).