octadec-9-enamide

C18H35NO — CID 1930

IUPACoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(N)=O
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)
InChIKeyFATBGEAMYMYZAF-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.51
Rot. Bonds15

About octadec-9-enamide

octadec-9-enamide (PubChem CID 1930) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is octadec-9-enamide.

Molecular Properties

Compound Nameoctadec-9-enamide
PubChem CID1930
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Nameoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(N)=O
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)
InChIKeyFATBGEAMYMYZAF-UHFFFAOYSA-N
XLogP5.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 octadec-9-enamide?
The IUPAC name of octadec-9-enamide (CID 1930) is octadec-9-enamide.
What is the SMILES notation for octadec-9-enamide?
The canonical SMILES for octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(N)=O.
What is the InChIKey of octadec-9-enamide?
The InChIKey is FATBGEAMYMYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20).
What are the key properties of octadec-9-enamide?
octadec-9-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.51, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-9-enamide is sourced from PubChem (CID 1930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).