(9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide

C24H45NO — CID 162675818

IUPAC(9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C24H45NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22(2)24(3,4)5/h10-11,13-14,22H,6-9,12,15-21H2,1-5H3,(H,25,26)/b11-10-,14-13-
InChIKeySZIKLZQOULICIS-XVTLYKPTSA-N
MW363.63 g/mol
LogP7.35
Rot. Bonds15

About (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide

(9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide (PubChem CID 162675818) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide
PubChem CID162675818
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name(9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C24H45NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22(2)24(3,4)5/h10-11,13-14,22H,6-9,12,15-21H2,1-5H3,(H,25,26)/b11-10-,14-13-
InChIKeySZIKLZQOULICIS-XVTLYKPTSA-N
XLogP7.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.35
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-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide (CID 162675818) is (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C(C)(C)C.
What is the InChIKey of (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide?
The InChIKey is SZIKLZQOULICIS-XVTLYKPTSA-N. The full InChI is InChI=1S/C24H45NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22(2)24(3,4)5/h10-11,13-14,22H,6-9,12,15-21H2,1-5H3,(H,25,26)/b11-10-,14-13-.
What are the key properties of (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide?
(9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide has a molecular weight of 363.63 g/mol, XLogP of 7.35, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide is sourced from PubChem (CID 162675818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).