N-cyclohexylideneoctadec-9-enamide

C24H43NO — CID 70202676

IUPACN-cyclohexylideneoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N=C1CCCCC1
InChIInChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10H,2-8,11-22H2,1H3
InChIKeyNPPJBAHMXHRVMO-UHFFFAOYSA-N
MW361.61 g/mol
LogP7.96
Rot. Bonds15

About N-cyclohexylideneoctadec-9-enamide

N-cyclohexylideneoctadec-9-enamide (PubChem CID 70202676) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is N-cyclohexylideneoctadec-9-enamide.

Molecular Properties

Compound NameN-cyclohexylideneoctadec-9-enamide
PubChem CID70202676
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC NameN-cyclohexylideneoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N=C1CCCCC1
InChIInChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10H,2-8,11-22H2,1H3
InChIKeyNPPJBAHMXHRVMO-UHFFFAOYSA-N
XLogP7.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylideneoctadec-9-enamide?
The IUPAC name of N-cyclohexylideneoctadec-9-enamide (CID 70202676) is N-cyclohexylideneoctadec-9-enamide.
What is the SMILES notation for N-cyclohexylideneoctadec-9-enamide?
The canonical SMILES for N-cyclohexylideneoctadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)N=C1CCCCC1.
What is the InChIKey of N-cyclohexylideneoctadec-9-enamide?
The InChIKey is NPPJBAHMXHRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10H,2-8,11-22H2,1H3.
What are the key properties of N-cyclohexylideneoctadec-9-enamide?
N-cyclohexylideneoctadec-9-enamide has a molecular weight of 361.61 g/mol, XLogP of 7.96, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylideneoctadec-9-enamide is sourced from PubChem (CID 70202676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).