(Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide

C36H69NO — CID 6442040

IUPAC(Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C36H69NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3,(H,37,38)/b19-17+,20-18-
InChIKeyGCAONVVVMAVFDE-NADBREJJSA-N
MW531.95 g/mol
LogP12.18
Rot. Bonds31

About (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide

(Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide (PubChem CID 6442040) has the molecular formula C36H69NO and a molecular weight of 531.95 g/mol. Its IUPAC name is (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide
PubChem CID6442040
Molecular FormulaC36H69NO
Molecular Weight531.95 g/mol
Exact Mass531.54
IUPAC Name(Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C36H69NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3,(H,37,38)/b19-17+,20-18-
InChIKeyGCAONVVVMAVFDE-NADBREJJSA-N
XLogP12.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.95
LogP ≤ 512.18
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-[(E)-octadec-9-enyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide (CID 6442040) is (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCCCCCCC/C=C/CCCCCCCC.
What is the InChIKey of (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide?
The InChIKey is GCAONVVVMAVFDE-NADBREJJSA-N. The full InChI is InChI=1S/C36H69NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3,(H,37,38)/b19-17+,20-18-.
What are the key properties of (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide?
(Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide has a molecular weight of 531.95 g/mol, XLogP of 12.18, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide is sourced from PubChem (CID 6442040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).