(E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide

C20H39NO3 — CID 6436866

IUPAC(E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCC(O)C/C=C/CCCCCCCC(=O)NCCO
InChIInChI=1S/C20H39NO3/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)21-17-18-22/h9,12,19,22-23H,2-8,10-11,13-18H2,1H3,(H,21,24)/b12-9+
InChIKeyJYDIHAYTECQGQK-FMIVXFBMSA-N
MW341.54 g/mol
LogP4.10
Rot. Bonds17

About (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide

(E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide (PubChem CID 6436866) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide
PubChem CID6436866
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name(E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCC(O)C/C=C/CCCCCCCC(=O)NCCO
InChIInChI=1S/C20H39NO3/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)21-17-18-22/h9,12,19,22-23H,2-8,10-11,13-18H2,1H3,(H,21,24)/b12-9+
InChIKeyJYDIHAYTECQGQK-FMIVXFBMSA-N
XLogP4.10
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.10
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'}

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Related Compounds

Oleoylethanolamide
CID 5283454
N-Linoleoylethanolamine
CID 5283446
C16-Ceramide
CID 5283564
N-Hexanoylsphingosine
CID 5702613
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
(8Z,11Z,14Z)-N-(2-Hydroxyethyl)-8,11,14-eicosatrienamide
CID 5282272
C18-Ceramide
CID 5283565
Cer(d18:1/20:0)
CID 5283566
Cer(d18:1/22:0)
CID 5283567

Frequently Asked Questions

What is the IUPAC name of (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide?
The IUPAC name of (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide (CID 6436866) is (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide.
What is the SMILES notation for (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide?
The canonical SMILES for (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide is CCCCCCC(O)C/C=C/CCCCCCCC(=O)NCCO.
What is the InChIKey of (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide?
The InChIKey is JYDIHAYTECQGQK-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H39NO3/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)21-17-18-22/h9,12,19,22-23H,2-8,10-11,13-18H2,1H3,(H,21,24)/b12-9+.
What are the key properties of (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide?
(E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide has a molecular weight of 341.54 g/mol, XLogP of 4.10, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide is sourced from PubChem (CID 6436866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).