(9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide

C24H43NO — CID 6436114

IUPAC(9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC1CCCCC1
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/h6-7,9-10,23H,2-5,8,11-22H2,1H3,(H,25,26)/b7-6-,10-9-
InChIKeyOFSPDNIHQQKLPZ-HZJYTTRNSA-N
MW361.61 g/mol
LogP7.25
Rot. Bonds15

About (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide

(9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide (PubChem CID 6436114) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide
PubChem CID6436114
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name(9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC1CCCCC1
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/h6-7,9-10,23H,2-5,8,11-22H2,1H3,(H,25,26)/b7-6-,10-9-
InChIKeyOFSPDNIHQQKLPZ-HZJYTTRNSA-N
XLogP7.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.25
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 (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide (CID 6436114) is (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC1CCCCC1.
What is the InChIKey of (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide?
The InChIKey is OFSPDNIHQQKLPZ-HZJYTTRNSA-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/h6-7,9-10,23H,2-5,8,11-22H2,1H3,(H,25,26)/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide?
(9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide has a molecular weight of 361.61 g/mol, XLogP of 7.25, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-cyclohexyloctadeca-9,12-dienamide is sourced from PubChem (CID 6436114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).