(Z)-N-(2-hydroxypropyl)octadec-9-enamide

C21H41NO2 — CID 6436066

IUPAC(Z)-N-(2-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)O
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/b11-10-
InChIKeyUDZAXLGLNUMCRX-KHPPLWFESA-N
MW339.56 g/mol
LogP5.52
Rot. Bonds17

About (Z)-N-(2-hydroxypropyl)octadec-9-enamide

(Z)-N-(2-hydroxypropyl)octadec-9-enamide (PubChem CID 6436066) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (Z)-N-(2-hydroxypropyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2-hydroxypropyl)octadec-9-enamide
PubChem CID6436066
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(Z)-N-(2-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)O
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/b11-10-
InChIKeyUDZAXLGLNUMCRX-KHPPLWFESA-N
XLogP5.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.52
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'}

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Related Compounds

Oleoylethanolamide
CID 5283454
N-Linoleoylethanolamine
CID 5283446
Anandamide
CID 5281969
C16-Ceramide
CID 5283564
N-Oleoylglycine
CID 6436908
Oleic acid diethanolamide
CID 5371728
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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-hydroxypropyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(2-hydroxypropyl)octadec-9-enamide (CID 6436066) is (Z)-N-(2-hydroxypropyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2-hydroxypropyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(2-hydroxypropyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)O.
What is the InChIKey of (Z)-N-(2-hydroxypropyl)octadec-9-enamide?
The InChIKey is UDZAXLGLNUMCRX-KHPPLWFESA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/b11-10-.
What are the key properties of (Z)-N-(2-hydroxypropyl)octadec-9-enamide?
(Z)-N-(2-hydroxypropyl)octadec-9-enamide has a molecular weight of 339.56 g/mol, XLogP of 5.52, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-hydroxypropyl)octadec-9-enamide is sourced from PubChem (CID 6436066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).