(Z)-N-octadecyldocos-13-enamide

C40H79NO — CID 6436363

IUPAC(Z)-N-octadecyldocos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-
InChIKeyFUSNPOOETKRESL-ZPHPHTNESA-N
MW590.08 g/mol
LogP13.96
Rot. Bonds36

About (Z)-N-octadecyldocos-13-enamide

(Z)-N-octadecyldocos-13-enamide (PubChem CID 6436363) has the molecular formula C40H79NO and a molecular weight of 590.08 g/mol. Its IUPAC name is (Z)-N-octadecyldocos-13-enamide.

Molecular Properties

Compound Name(Z)-N-octadecyldocos-13-enamide
PubChem CID6436363
Molecular FormulaC40H79NO
Molecular Weight590.08 g/mol
Exact Mass589.62
IUPAC Name(Z)-N-octadecyldocos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-
InChIKeyFUSNPOOETKRESL-ZPHPHTNESA-N
XLogP13.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.08
LogP ≤ 513.96
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 (Z)-N-octadecyldocos-13-enamide?
The IUPAC name of (Z)-N-octadecyldocos-13-enamide (CID 6436363) is (Z)-N-octadecyldocos-13-enamide.
What is the SMILES notation for (Z)-N-octadecyldocos-13-enamide?
The canonical SMILES for (Z)-N-octadecyldocos-13-enamide is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-N-octadecyldocos-13-enamide?
The InChIKey is FUSNPOOETKRESL-ZPHPHTNESA-N. The full InChI is InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-.
What are the key properties of (Z)-N-octadecyldocos-13-enamide?
(Z)-N-octadecyldocos-13-enamide has a molecular weight of 590.08 g/mol, XLogP of 13.96, 36 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-octadecyldocos-13-enamide is sourced from PubChem (CID 6436363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).