(Z)-N-(2-hydroxyethyl)docos-13-enamide

C24H47NO2 — CID 6436482

IUPAC(Z)-N-(2-hydroxyethyl)docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCO
InChIInChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKeyUGYSMGXRWBTMRZ-KTKRTIGZSA-N
MW381.65 g/mol
LogP6.69
Rot. Bonds21

About (Z)-N-(2-hydroxyethyl)docos-13-enamide

(Z)-N-(2-hydroxyethyl)docos-13-enamide (PubChem CID 6436482) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is (Z)-N-(2-hydroxyethyl)docos-13-enamide.

Molecular Properties

Compound Name(Z)-N-(2-hydroxyethyl)docos-13-enamide
PubChem CID6436482
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC Name(Z)-N-(2-hydroxyethyl)docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCO
InChIInChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKeyUGYSMGXRWBTMRZ-KTKRTIGZSA-N
XLogP6.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.69
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-hydroxyethyl)docos-13-enamide?
The IUPAC name of (Z)-N-(2-hydroxyethyl)docos-13-enamide (CID 6436482) is (Z)-N-(2-hydroxyethyl)docos-13-enamide.
What is the SMILES notation for (Z)-N-(2-hydroxyethyl)docos-13-enamide?
The canonical SMILES for (Z)-N-(2-hydroxyethyl)docos-13-enamide is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCO.
What is the InChIKey of (Z)-N-(2-hydroxyethyl)docos-13-enamide?
The InChIKey is UGYSMGXRWBTMRZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-.
What are the key properties of (Z)-N-(2-hydroxyethyl)docos-13-enamide?
(Z)-N-(2-hydroxyethyl)docos-13-enamide has a molecular weight of 381.65 g/mol, XLogP of 6.69, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-hydroxyethyl)docos-13-enamide is sourced from PubChem (CID 6436482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).