5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide

C17H17NO3 — CID 46203476

IUPAC5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(O)ccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H17NO3/c1-18(2)17(21)16-11-15(20)10-7-13(16)6-3-12-4-8-14(19)9-5-12/h3-11,19-20H,1-2H3/b6-3+
InChIKeyNNIIEHRWMGMHHV-ZZXKWVIFSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds3

About 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide

5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide (PubChem CID 46203476) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide
PubChem CID46203476
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(O)ccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H17NO3/c1-18(2)17(21)16-11-15(20)10-7-13(16)6-3-12-4-8-14(19)9-5-12/h3-11,19-20H,1-2H3/b6-3+
InChIKeyNNIIEHRWMGMHHV-ZZXKWVIFSA-N
XLogP2.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
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 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide?
The IUPAC name of 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide (CID 46203476) is 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(O)ccc1/C=C/c1ccc(O)cc1.
What is the InChIKey of 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide?
The InChIKey is NNIIEHRWMGMHHV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(2)17(21)16-11-15(20)10-7-13(16)6-3-12-4-8-14(19)9-5-12/h3-11,19-20H,1-2H3/b6-3+.
What are the key properties of 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide?
5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46203476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).