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

C25H48N2O2 — CID 154137708

IUPACN-(3-morpholin-4-ylpropyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=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)
InChIKeyIKPAPILEWHGMAH-UHFFFAOYSA-N
MW408.67 g/mol
LogP5.86
Rot. Bonds19

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

N-(3-morpholin-4-ylpropyl)octadec-9-enamide (PubChem CID 154137708) has the molecular formula C25H48N2O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)octadec-9-enamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)octadec-9-enamide
PubChem CID154137708
Molecular FormulaC25H48N2O2
Molecular Weight408.67 g/mol
Exact Mass408.37
IUPAC NameN-(3-morpholin-4-ylpropyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=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)
InChIKeyIKPAPILEWHGMAH-UHFFFAOYSA-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 N-(3-morpholin-4-ylpropyl)octadec-9-enamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)octadec-9-enamide (CID 154137708) is N-(3-morpholin-4-ylpropyl)octadec-9-enamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)octadec-9-enamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)octadec-9-enamide?
The InChIKey is IKPAPILEWHGMAH-UHFFFAOYSA-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).
What are the key properties of N-(3-morpholin-4-ylpropyl)octadec-9-enamide?
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 N-(3-morpholin-4-ylpropyl)octadec-9-enamide is sourced from PubChem (CID 154137708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).