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

C27H27NO3 — CID 155531232

IUPAC4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide
SMILESC=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C27H27NO3/c1-4-24-25(30-2)18-22(19-26(24)31-3)11-10-21-12-14-23(15-13-21)27(29)28-17-16-20-8-6-5-7-9-20/h4-15,18-19H,1,16-17H2,2-3H3,(H,28,29)/b11-10+
InChIKeyZQWAJLKNLUBHIQ-ZHACJKMWSA-N
MW413.52 g/mol
LogP5.49
Rot. Bonds9

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

4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide (PubChem CID 155531232) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide
PubChem CID155531232
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide
SMILESC=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C27H27NO3/c1-4-24-25(30-2)18-22(19-26(24)31-3)11-10-21-12-14-23(15-13-21)27(29)28-17-16-20-8-6-5-7-9-20/h4-15,18-19H,1,16-17H2,2-3H3,(H,28,29)/b11-10+
InChIKeyZQWAJLKNLUBHIQ-ZHACJKMWSA-N
XLogP5.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide (CID 155531232) is 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide is C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide?
The InChIKey is ZQWAJLKNLUBHIQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C27H27NO3/c1-4-24-25(30-2)18-22(19-26(24)31-3)11-10-21-12-14-23(15-13-21)27(29)28-17-16-20-8-6-5-7-9-20/h4-15,18-19H,1,16-17H2,2-3H3,(H,28,29)/b11-10+.
What are the key properties of 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide?
4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide has a molecular weight of 413.52 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 155531232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).