2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide

C27H32N2O2 — CID 23544132

IUPAC2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide
SMILESO=C(NCCCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1
InChIInChI=1S/C27H32N2O2/c30-25-16-14-23(15-17-25)18-20-28-21-24-12-6-7-13-26(24)27(31)29-19-8-2-5-11-22-9-3-1-4-10-22/h1,3-4,6-7,9-10,12-17,28,30H,2,5,8,11,18-21H2,(H,29,31)
InChIKeyZYJBSSZROHORGR-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.87
Rot. Bonds12

About 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide

2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide (PubChem CID 23544132) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide
PubChem CID23544132
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide
SMILESO=C(NCCCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1
InChIInChI=1S/C27H32N2O2/c30-25-16-14-23(15-17-25)18-20-28-21-24-12-6-7-13-26(24)27(31)29-19-8-2-5-11-22-9-3-1-4-10-22/h1,3-4,6-7,9-10,12-17,28,30H,2,5,8,11,18-21H2,(H,29,31)
InChIKeyZYJBSSZROHORGR-UHFFFAOYSA-N
XLogP4.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide 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

2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544107
2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544116
2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 22018525
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide
CID 74061424
2-[[2-(6-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide
CID 23544156
2-[(2-phenylethylamino)methyl]benzoic acid
CID 17157313
N-[4-(3,5-dichlorophenyl)butyl]-2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]benzamide
CID 23544291
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 115461449
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide?
The IUPAC name of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide (CID 23544132) is 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide.
What is the SMILES notation for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide?
The canonical SMILES for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide is O=C(NCCCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1.
What is the InChIKey of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide?
The InChIKey is ZYJBSSZROHORGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c30-25-16-14-23(15-17-25)18-20-28-21-24-12-6-7-13-26(24)27(31)29-19-8-2-5-11-22-9-3-1-4-10-22/h1,3-4,6-7,9-10,12-17,28,30H,2,5,8,11,18-21H2,(H,29,31).
What are the key properties of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide?
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide has a molecular weight of 416.57 g/mol, XLogP of 4.87, 12 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-(5-phenylpentyl)benzamide is sourced from PubChem (CID 23544132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).