2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide

C26H28N2O2 — CID 74061424

IUPAC2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide
SMILESO=C(NCCC=Cc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1
InChIInChI=1S/C26H28N2O2/c29-24-15-13-22(14-16-24)17-19-27-20-23-11-4-5-12-25(23)26(30)28-18-7-6-10-21-8-2-1-3-9-21/h1-6,8-16,27,29H,7,17-20H2,(H,28,30)
InChIKeyJNTKRACVKGTMSU-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.56
Rot. Bonds10

About 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide

2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide (PubChem CID 74061424) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide
PubChem CID74061424
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide
SMILESO=C(NCCC=Cc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1
InChIInChI=1S/C26H28N2O2/c29-24-15-13-22(14-16-24)17-19-27-20-23-11-4-5-12-25(23)26(30)28-18-7-6-10-21-8-2-1-3-9-21/h1-6,8-16,27,29H,7,17-20H2,(H,28,30)
InChIKeyJNTKRACVKGTMSU-UHFFFAOYSA-N
XLogP4.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide
CID 23544132
2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-3-ylbut-3-enyl]benzamide
CID 23544141
2-[(2-phenylethylamino)methyl]benzoic acid
CID 17157313
2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544107
2-[(1-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbut-3-enyl)benzamide
CID 74061422
[(E)-4-phenylbut-3-enyl]carbamic acid
CID 22018485
2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544116
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 22018525
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
2-[(8-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide
CID 23544253

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide?
The IUPAC name of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide (CID 74061424) is 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide.
What is the SMILES notation for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide?
The canonical SMILES for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide is O=C(NCCC=Cc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1.
What is the InChIKey of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide?
The InChIKey is JNTKRACVKGTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-24-15-13-22(14-16-24)17-19-27-20-23-11-4-5-12-25(23)26(30)28-18-7-6-10-21-8-2-1-3-9-21/h1-6,8-16,27,29H,7,17-20H2,(H,28,30).
What are the key properties of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide?
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide has a molecular weight of 400.52 g/mol, XLogP of 4.56, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide is sourced from PubChem (CID 74061424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).