3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide

C20H23NO2 — CID 53250516

IUPAC3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(/C=C/c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C20H23NO2/c1-4-10-21-20(23)18-7-5-6-16(13-18)8-9-17-11-14(2)19(22)15(3)12-17/h5-9,11-13,22H,4,10H2,1-3H3,(H,21,23)/b9-8+
InChIKeyJGEQYRNNIKTPPQ-CMDGGOBGSA-N
MW309.41 g/mol
LogP4.32
Rot. Bonds5

About 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide

3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide (PubChem CID 53250516) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide
PubChem CID53250516
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(/C=C/c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C20H23NO2/c1-4-10-21-20(23)18-7-5-6-16(13-18)8-9-17-11-14(2)19(22)15(3)12-17/h5-9,11-13,22H,4,10H2,1-3H3,(H,21,23)/b9-8+
InChIKeyJGEQYRNNIKTPPQ-CMDGGOBGSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide
CID 123614427
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide
CID 118761816
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide?
The IUPAC name of 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide (CID 53250516) is 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide?
The canonical SMILES for 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide is CCCNC(=O)c1cccc(/C=C/c2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide?
The InChIKey is JGEQYRNNIKTPPQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-10-21-20(23)18-7-5-6-16(13-18)8-9-17-11-14(2)19(22)15(3)12-17/h5-9,11-13,22H,4,10H2,1-3H3,(H,21,23)/b9-8+.
What are the key properties of 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide?
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide is sourced from PubChem (CID 53250516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).