(E)-octadec-9-enamide

C18H35NO — CID 5353370

IUPAC(E)-octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(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)/b10-9+
InChIKeyFATBGEAMYMYZAF-MDZDMXLPSA-N
MW281.48 g/mol
LogP5.51
Rot. Bonds15

About (E)-octadec-9-enamide

(E)-octadec-9-enamide (PubChem CID 5353370) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (E)-octadec-9-enamide.

Molecular Properties

Compound Name(E)-octadec-9-enamide
PubChem CID5353370
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(E)-octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(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)/b10-9+
InChIKeyFATBGEAMYMYZAF-MDZDMXLPSA-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 (E)-octadec-9-enamide?
The IUPAC name of (E)-octadec-9-enamide (CID 5353370) is (E)-octadec-9-enamide.
What is the SMILES notation for (E)-octadec-9-enamide?
The canonical SMILES for (E)-octadec-9-enamide is CCCCCCCC/C=C/CCCCCCCC(N)=O.
What is the InChIKey of (E)-octadec-9-enamide?
The InChIKey is FATBGEAMYMYZAF-MDZDMXLPSA-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)/b10-9+.
What are the key properties of (E)-octadec-9-enamide?
(E)-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 (E)-octadec-9-enamide is sourced from PubChem (CID 5353370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).