4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide

C24H30N2O2 — CID 15434237

IUPAC4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(C)=CCC/C(C)=C/COc1ccc(C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C24H30N2O2/c1-19(2)7-6-8-20(3)15-18-28-23-12-10-21(11-13-23)24(27)26-17-14-22-9-4-5-16-25-22/h4-5,7,9-13,15-16H,6,8,14,17-18H2,1-3H3,(H,26,27)/b20-15+
InChIKeyXEWOGIGIJKWXTE-HMMYKYKNSA-N
MW378.52 g/mol
LogP5.13
Rot. Bonds10

About 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide

4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 15434237) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID15434237
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(C)=CCC/C(C)=C/COc1ccc(C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C24H30N2O2/c1-19(2)7-6-8-20(3)15-18-28-23-12-10-21(11-13-23)24(27)26-17-14-22-9-4-5-16-25-22/h4-5,7,9-13,15-16H,6,8,14,17-18H2,1-3H3,(H,26,27)/b20-15+
InChIKeyXEWOGIGIJKWXTE-HMMYKYKNSA-N
XLogP5.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642
N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-4-phenoxybenzamide
CID 2549071
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 69130580
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3,7-dimethylocta-2,6-dienoxy)benzamide
CID 90738229
6-phenoxy-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 87000850
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
ethyl 5-methyl-1-[4-(2-pyridin-2-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46429346
4-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 69214758

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide (CID 15434237) is 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide is CC(C)=CCC/C(C)=C/COc1ccc(C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is XEWOGIGIJKWXTE-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-19(2)7-6-8-20(3)15-18-28-23-12-10-21(11-13-23)24(27)26-17-14-22-9-4-5-16-25-22/h4-5,7,9-13,15-16H,6,8,14,17-18H2,1-3H3,(H,26,27)/b20-15+.
What are the key properties of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide?
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 15434237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).