4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide

C17H17NO2 — CID 57393052

IUPAC4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(C)cc1
InChIInChI=1S/C17H17NO2/c1-12-3-5-13(6-4-12)7-8-14-11-15(17(18)19)9-10-16(14)20-2/h3-11H,1-2H3,(H2,18,19)/b8-7+
InChIKeyJRTGYCSDCNNGHU-BQYQJAHWSA-N
MW267.33 g/mol
LogP3.27
Rot. Bonds4

About 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide

4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide (PubChem CID 57393052) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide
PubChem CID57393052
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(C)cc1
InChIInChI=1S/C17H17NO2/c1-12-3-5-13(6-4-12)7-8-14-11-15(17(18)19)9-10-16(14)20-2/h3-11H,1-2H3,(H2,18,19)/b8-7+
InChIKeyJRTGYCSDCNNGHU-BQYQJAHWSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide?
The IUPAC name of 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide (CID 57393052) is 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide?
The canonical SMILES for 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide is COc1ccc(C(N)=O)cc1/C=C/c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide?
The InChIKey is JRTGYCSDCNNGHU-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-3-5-13(6-4-12)7-8-14-11-15(17(18)19)9-10-16(14)20-2/h3-11H,1-2H3,(H2,18,19)/b8-7+.
What are the key properties of 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide?
4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide has a molecular weight of 267.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzamide is sourced from PubChem (CID 57393052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).