(9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide

C21H37NO3 — CID 53320068

IUPAC(9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCC(O)CO
InChIInChI=1S/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-18-20(24)19-23/h3-4,6-7,9-10,20,23-24H,2,5,8,11-19H2,1H3,(H,22,25)/b4-3-,7-6-,10-9-
InChIKeyBHTKFCKCINKOAG-PDBXOOCHSA-N
MW351.53 g/mol
LogP4.05
Rot. Bonds16

About (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide

(9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide (PubChem CID 53320068) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide
PubChem CID53320068
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Name(9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCC(O)CO
InChIInChI=1S/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-18-20(24)19-23/h3-4,6-7,9-10,20,23-24H,2,5,8,11-19H2,1H3,(H,22,25)/b4-3-,7-6-,10-9-
InChIKeyBHTKFCKCINKOAG-PDBXOOCHSA-N
XLogP4.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide 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

Oleoylethanolamide
CID 5283454
N-Linoleoylethanolamine
CID 5283446
Anandamide
CID 5281969
C16-Ceramide
CID 5283564
N-Hexanoylsphingosine
CID 5702613
(8Z,11Z,14Z)-N-(2-Hydroxyethyl)-8,11,14-eicosatrienamide
CID 5282272
N-(2-Hydroxyethyl)-7Z,10Z,13Z,16Z-docosatetraenamide
CID 5282273
Cer(d18:1/24:1(15Z))
CID 5283568
C24-Ceramide
CID 5283571
C8-Ceramide
CID 5702614
(R)-Methanandamide
CID 6321351
C18-Ceramide
CID 5283565

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide?
The IUPAC name of (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide (CID 53320068) is (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide.
What is the SMILES notation for (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide?
The canonical SMILES for (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCC(O)CO.
What is the InChIKey of (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide?
The InChIKey is BHTKFCKCINKOAG-PDBXOOCHSA-N. The full InChI is InChI=1S/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-18-20(24)19-23/h3-4,6-7,9-10,20,23-24H,2,5,8,11-19H2,1H3,(H,22,25)/b4-3-,7-6-,10-9-.
What are the key properties of (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide?
(9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide has a molecular weight of 351.53 g/mol, XLogP of 4.05, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-N-(2,3-dihydroxypropyl)octadeca-9,12,15-trienamide is sourced from PubChem (CID 53320068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).