2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide

C22H25NO2 — CID 141206154

IUPAC2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1/C=C/CCC/C=C/c1ccc(O)cc1
InChIInChI=1S/C22H25NO2/c1-23(2)22(25)21-13-9-8-12-19(21)11-7-5-3-4-6-10-18-14-16-20(24)17-15-18/h6-17,24H,3-5H2,1-2H3/b10-6+,11-7+
InChIKeyDUFMTWLSXHKXLA-JMQWPVDRSA-N
MW335.45 g/mol
LogP4.99
Rot. Bonds7

About 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide

2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide (PubChem CID 141206154) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide
PubChem CID141206154
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1/C=C/CCC/C=C/c1ccc(O)cc1
InChIInChI=1S/C22H25NO2/c1-23(2)22(25)21-13-9-8-12-19(21)11-7-5-3-4-6-10-18-14-16-20(24)17-15-18/h6-17,24H,3-5H2,1-2H3/b10-6+,11-7+
InChIKeyDUFMTWLSXHKXLA-JMQWPVDRSA-N
XLogP4.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide (CID 141206154) is 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1/C=C/CCC/C=C/c1ccc(O)cc1.
What is the InChIKey of 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide?
The InChIKey is DUFMTWLSXHKXLA-JMQWPVDRSA-N. The full InChI is InChI=1S/C22H25NO2/c1-23(2)22(25)21-13-9-8-12-19(21)11-7-5-3-4-6-10-18-14-16-20(24)17-15-18/h6-17,24H,3-5H2,1-2H3/b10-6+,11-7+.
What are the key properties of 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide?
2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide has a molecular weight of 335.45 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 141206154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).