(Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide

C42H83NO2 — CID 73242204

IUPAC(Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H83NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-42(45)43-40(3)41(44)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2/h18-19,40-41,44H,4-17,20-39H2,1-3H3,(H,43,45)/b19-18-/t40-,41+/m0/s1
InChIKeyXBNZFPFCTSJHRI-FIIAPBGQSA-N
MW634.13 g/mol
LogP13.71
Rot. Bonds37

About (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide

(Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide (PubChem CID 73242204) has the molecular formula C42H83NO2 and a molecular weight of 634.13 g/mol. Its IUPAC name is (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide.

Molecular Properties

Compound Name(Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide
PubChem CID73242204
Molecular FormulaC42H83NO2
Molecular Weight634.13 g/mol
Exact Mass633.64
IUPAC Name(Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H83NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-42(45)43-40(3)41(44)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2/h18-19,40-41,44H,4-17,20-39H2,1-3H3,(H,43,45)/b19-18-/t40-,41+/m0/s1
InChIKeyXBNZFPFCTSJHRI-FIIAPBGQSA-N
XLogP13.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.13
LogP ≤ 513.71
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
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
Cer(d18:1/20:0)
CID 5283566

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide?
The IUPAC name of (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide (CID 73242204) is (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide.
What is the SMILES notation for (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide?
The canonical SMILES for (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide is CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide?
The InChIKey is XBNZFPFCTSJHRI-FIIAPBGQSA-N. The full InChI is InChI=1S/C42H83NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-42(45)43-40(3)41(44)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2/h18-19,40-41,44H,4-17,20-39H2,1-3H3,(H,43,45)/b19-18-/t40-,41+/m0/s1.
What are the key properties of (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide?
(Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide has a molecular weight of 634.13 g/mol, XLogP of 13.71, 37 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamide is sourced from PubChem (CID 73242204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).