N-[(Z)-octadec-9-enyl]hexadecanamide

C34H67NO — CID 6436436

IUPACN-[(Z)-octadec-9-enyl]hexadecanamide
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-35-34(36)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3,(H,35,36)/b18-17-
InChIKeyVMRGZRVLZQSNHC-ZCXUNETKSA-N
MW505.92 g/mol
LogP11.62
Rot. Bonds30

About N-[(Z)-octadec-9-enyl]hexadecanamide

N-[(Z)-octadec-9-enyl]hexadecanamide (PubChem CID 6436436) has the molecular formula C34H67NO and a molecular weight of 505.92 g/mol. Its IUPAC name is N-[(Z)-octadec-9-enyl]hexadecanamide.

Molecular Properties

Compound NameN-[(Z)-octadec-9-enyl]hexadecanamide
PubChem CID6436436
Molecular FormulaC34H67NO
Molecular Weight505.92 g/mol
Exact Mass505.52
IUPAC NameN-[(Z)-octadec-9-enyl]hexadecanamide
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-35-34(36)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3,(H,35,36)/b18-17-
InChIKeyVMRGZRVLZQSNHC-ZCXUNETKSA-N
XLogP11.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.92
LogP ≤ 511.62
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 N-[(Z)-octadec-9-enyl]hexadecanamide?
The IUPAC name of N-[(Z)-octadec-9-enyl]hexadecanamide (CID 6436436) is N-[(Z)-octadec-9-enyl]hexadecanamide.
What is the SMILES notation for N-[(Z)-octadec-9-enyl]hexadecanamide?
The canonical SMILES for N-[(Z)-octadec-9-enyl]hexadecanamide is CCCCCCCC/C=C\CCCCCCCCNC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-[(Z)-octadec-9-enyl]hexadecanamide?
The InChIKey is VMRGZRVLZQSNHC-ZCXUNETKSA-N. The full InChI is InChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-35-34(36)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3,(H,35,36)/b18-17-.
What are the key properties of N-[(Z)-octadec-9-enyl]hexadecanamide?
N-[(Z)-octadec-9-enyl]hexadecanamide has a molecular weight of 505.92 g/mol, XLogP of 11.62, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-octadec-9-enyl]hexadecanamide is sourced from PubChem (CID 6436436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).