(Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide

C58H112N2O2 — CID 175966063

IUPAC(Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide
SMILESCCCCCCCCCCCCCCC/C=C\CCCCCCCCC(=O)NC(CCCC)CC(CCCCCCC/C=C\CCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C58H112N2O2/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-53-57(61)60-56(52-9-6-3)54-55(58(59)62)51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h34-37,55-56H,4-33,38-54H2,1-3H3,(H2,59,62)(H,60,61)/b36-34-,37-35-
InChIKeyPTAVMZUCSKMLLT-IRBDSUPESA-N
MW869.55 g/mol
LogP19.08
Rot. Bonds52

About (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide

(Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide (PubChem CID 175966063) has the molecular formula C58H112N2O2 and a molecular weight of 869.55 g/mol. Its IUPAC name is (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide.

Molecular Properties

Compound Name(Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide
PubChem CID175966063
Molecular FormulaC58H112N2O2
Molecular Weight869.55 g/mol
Exact Mass868.87
IUPAC Name(Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide
SMILESCCCCCCCCCCCCCCC/C=C\CCCCCCCCC(=O)NC(CCCC)CC(CCCCCCC/C=C\CCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C58H112N2O2/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-53-57(61)60-56(52-9-6-3)54-55(58(59)62)51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h34-37,55-56H,4-33,38-54H2,1-3H3,(H2,59,62)(H,60,61)/b36-34-,37-35-
InChIKeyPTAVMZUCSKMLLT-IRBDSUPESA-N
XLogP19.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds52
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.55
LogP ≤ 519.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide with MolForge

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Related Compounds

N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
N-(1-hydroxyhexan-2-yl)icos-11-enamide
CID 173265163
2-hexadecylicos-11-enamide
CID 173011844
(Z)-2-(octadecanoylamino)docos-13-enamide
CID 175456361
(Z)-N-(1-amino-1-oxooctadecan-2-yl)docos-13-enamide
CID 139916190
(Z)-N-(3-carbamoyltridecyl)docos-13-enamide
CID 175080383
2-triacont-19-enylbutanediamide
CID 155758594
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
N-[(2S)-1-hydroxyoctadecan-2-yl]-16-oxoheptatriacont-28-enamide
CID 57156321
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
(Z)-N-(3-carbamoyltridecan-2-yl)octadec-9-enamide
CID 175075268

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide?
The IUPAC name of (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide (CID 175966063) is (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide.
What is the SMILES notation for (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide?
The canonical SMILES for (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide is CCCCCCCCCCCCCCC/C=C\CCCCCCCCC(=O)NC(CCCC)CC(CCCCCCC/C=C\CCCCCCCCCCCCCCC)C(N)=O.
What is the InChIKey of (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide?
The InChIKey is PTAVMZUCSKMLLT-IRBDSUPESA-N. The full InChI is InChI=1S/C58H112N2O2/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-53-57(61)60-56(52-9-6-3)54-55(58(59)62)51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h34-37,55-56H,4-33,38-54H2,1-3H3,(H2,59,62)(H,60,61)/b36-34-,37-35-.
What are the key properties of (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide?
(Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide has a molecular weight of 869.55 g/mol, XLogP of 19.08, 52 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-[[(Z)-hexacos-10-enoyl]amino]hexyl]hexacos-10-enamide is sourced from PubChem (CID 175966063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).