(9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide

C54H105NO — CID 10259664

IUPAC(9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H105NO/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/h18,21,27,30H,4-17,19-20,22-26,28-29,31-53H2,1-3H3/b21-18-,30-27-
InChIKeyBRYMMYAOHSFZPX-QYIMKBBWSA-N
MW784.44 g/mol
LogP19.15
Rot. Bonds48

About (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide

(9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide (PubChem CID 10259664) has the molecular formula C54H105NO and a molecular weight of 784.44 g/mol. Its IUPAC name is (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide
PubChem CID10259664
Molecular FormulaC54H105NO
Molecular Weight784.44 g/mol
Exact Mass783.82
IUPAC Name(9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H105NO/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/h18,21,27,30H,4-17,19-20,22-26,28-29,31-53H2,1-3H3/b21-18-,30-27-
InChIKeyBRYMMYAOHSFZPX-QYIMKBBWSA-N
XLogP19.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds48
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.44
LogP ≤ 519.15
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'}

Analyze (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oleic acid diethanolamide
CID 5371728
Stearyl erucamide
CID 6436363
(9Z,12Z)-N,N-Bis(2-hydroxyethyl)octadeca-9,12-dien-1-amide
CID 9976267
Oleyl palmitamide
CID 6436436
N-(3-(Dimethylamino)propyl)oleamide
CID 6436063
(9Z)-N-(9Z)-9-Octadecen-1-yl-9-octadecenamide
CID 51341857
Linoleamidopropyl Dimethylamine
CID 16745071
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
N,N-dimethyl arachidonoyl amine
CID 5283408
9-Octadecenamide, N,N'-[(methylimino)di-3,1-propanediyl]bis-, (9Z,9'Z)-
CID 6441654
N,N-Dimethyloleamide
CID 5356959
9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide (CID 10259664) is (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide?
The InChIKey is BRYMMYAOHSFZPX-QYIMKBBWSA-N. The full InChI is InChI=1S/C54H105NO/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/h18,21,27,30H,4-17,19-20,22-26,28-29,31-53H2,1-3H3/b21-18-,30-27-.
What are the key properties of (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide?
(9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide has a molecular weight of 784.44 g/mol, XLogP of 19.15, 48 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N,N-dioctadecyloctadeca-9,12-dienamide is sourced from PubChem (CID 10259664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).