(9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide

C26H41NO — CID 70617268

IUPAC(9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27(2)24-25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22H,3-6,9,12-16,20,23-24H2,1-2H3/b8-7-,11-10-
InChIKeyDGCSEGDXJDLMCV-NQLNTKRDSA-N
MW383.62 g/mol
LogP7.46
Rot. Bonds16

About (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide

(9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide (PubChem CID 70617268) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide
PubChem CID70617268
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name(9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27(2)24-25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22H,3-6,9,12-16,20,23-24H2,1-2H3/b8-7-,11-10-
InChIKeyDGCSEGDXJDLMCV-NQLNTKRDSA-N
XLogP7.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 57.46
H-Bond Donors ≤ 50
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-benzyl-N-methyloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide (CID 70617268) is (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide?
The InChIKey is DGCSEGDXJDLMCV-NQLNTKRDSA-N. The full InChI is InChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27(2)24-25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22H,3-6,9,12-16,20,23-24H2,1-2H3/b8-7-,11-10-.
What are the key properties of (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide?
(9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide has a molecular weight of 383.62 g/mol, XLogP of 7.46, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-benzyl-N-methyloctadeca-9,12-dienamide is sourced from PubChem (CID 70617268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).