4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide

C26H26N2O3 — CID 155561294

IUPAC4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide
SMILESC=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccncc3)cc2)cc1OC
InChIInChI=1S/C26H26N2O3/c1-4-23-24(30-2)17-21(18-25(23)31-3)6-5-19-7-9-22(10-8-19)26(29)28-16-13-20-11-14-27-15-12-20/h4-12,14-15,17-18H,1,13,16H2,2-3H3,(H,28,29)/b6-5+
InChIKeyFEFLECRETSSNDN-AATRIKPKSA-N
MW414.51 g/mol
LogP4.88
Rot. Bonds9

About 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide

4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 155561294) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID155561294
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide
SMILESC=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccncc3)cc2)cc1OC
InChIInChI=1S/C26H26N2O3/c1-4-23-24(30-2)17-21(18-25(23)31-3)6-5-19-7-9-22(10-8-19)26(29)28-16-13-20-11-14-27-15-12-20/h4-12,14-15,17-18H,1,13,16H2,2-3H3,(H,28,29)/b6-5+
InChIKeyFEFLECRETSSNDN-AATRIKPKSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110788777
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 34908473
4-(3,3-dimethylbut-1-enyl)-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 72629224
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110787845

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide (CID 155561294) is 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide is C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccncc3)cc2)cc1OC.
What is the InChIKey of 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is FEFLECRETSSNDN-AATRIKPKSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-4-23-24(30-2)17-21(18-25(23)31-3)6-5-19-7-9-22(10-8-19)26(29)28-16-13-20-11-14-27-15-12-20/h4-12,14-15,17-18H,1,13,16H2,2-3H3,(H,28,29)/b6-5+.
What are the key properties of 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide?
4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 155561294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).