(Z)-N,N-dioctadecyloctadec-9-enamide

C54H107NO — CID 20836327

IUPAC(Z)-N,N-dioctadecyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H107NO/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(56)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h27,30H,4-26,28-29,31-53H2,1-3H3/b30-27-
InChIKeyIOUJMGBGFAJHAE-IKPAITLHSA-N
MW786.46 g/mol
LogP19.38
Rot. Bonds49

About (Z)-N,N-dioctadecyloctadec-9-enamide

(Z)-N,N-dioctadecyloctadec-9-enamide (PubChem CID 20836327) has the molecular formula C54H107NO and a molecular weight of 786.46 g/mol. Its IUPAC name is (Z)-N,N-dioctadecyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N,N-dioctadecyloctadec-9-enamide
PubChem CID20836327
Molecular FormulaC54H107NO
Molecular Weight786.46 g/mol
Exact Mass785.84
IUPAC Name(Z)-N,N-dioctadecyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H107NO/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(56)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h27,30H,4-26,28-29,31-53H2,1-3H3/b30-27-
InChIKeyIOUJMGBGFAJHAE-IKPAITLHSA-N
XLogP19.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds49
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.46
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dioctadecyloctadec-9-enamide?
The IUPAC name of (Z)-N,N-dioctadecyloctadec-9-enamide (CID 20836327) is (Z)-N,N-dioctadecyloctadec-9-enamide.
What is the SMILES notation for (Z)-N,N-dioctadecyloctadec-9-enamide?
The canonical SMILES for (Z)-N,N-dioctadecyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-N,N-dioctadecyloctadec-9-enamide?
The InChIKey is IOUJMGBGFAJHAE-IKPAITLHSA-N. The full InChI is InChI=1S/C54H107NO/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(56)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h27,30H,4-26,28-29,31-53H2,1-3H3/b30-27-.
What are the key properties of (Z)-N,N-dioctadecyloctadec-9-enamide?
(Z)-N,N-dioctadecyloctadec-9-enamide has a molecular weight of 786.46 g/mol, XLogP of 19.38, 49 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dioctadecyloctadec-9-enamide is sourced from PubChem (CID 20836327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).