(Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide

C25H48N2O2 — CID 141048482

IUPAC(Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C25H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27/h9-10H,2-8,11-24H2,1H3,(H,26,28)/b10-9-
InChIKeyIKPAPILEWHGMAH-KTKRTIGZSA-N
MW408.67 g/mol
LogP5.86
Rot. Bonds19

About (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide

(Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide (PubChem CID 141048482) has the molecular formula C25H48N2O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide
PubChem CID141048482
Molecular FormulaC25H48N2O2
Molecular Weight408.67 g/mol
Exact Mass408.37
IUPAC Name(Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C25H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27/h9-10H,2-8,11-24H2,1H3,(H,26,28)/b10-9-
InChIKeyIKPAPILEWHGMAH-KTKRTIGZSA-N
XLogP5.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 55.86
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide (CID 141048482) is (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN1CCOCC1.
What is the InChIKey of (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide?
The InChIKey is IKPAPILEWHGMAH-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27/h9-10H,2-8,11-24H2,1H3,(H,26,28)/b10-9-.
What are the key properties of (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide?
(Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide has a molecular weight of 408.67 g/mol, XLogP of 5.86, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-morpholin-4-ylpropyl)octadec-9-enamide is sourced from PubChem (CID 141048482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).