2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide

C25H28N2O2 — CID 23544173

IUPAC2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccccc1CNCc1ccc(O)cc1
InChIInChI=1S/C25H28N2O2/c28-23-15-13-21(14-16-23)18-26-19-22-11-4-5-12-24(22)25(29)27-17-7-6-10-20-8-2-1-3-9-20/h1-5,8-9,11-16,26,28H,6-7,10,17-19H2,(H,27,29)
InChIKeyYESAYNJVGUKZIO-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.43
Rot. Bonds10

About 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide

2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide (PubChem CID 23544173) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide
PubChem CID23544173
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccccc1CNCc1ccc(O)cc1
InChIInChI=1S/C25H28N2O2/c28-23-15-13-21(14-16-23)18-26-19-22-11-4-5-12-24(22)25(29)27-17-7-6-10-20-8-2-1-3-9-20/h1-5,8-9,11-16,26,28H,6-7,10,17-19H2,(H,27,29)
InChIKeyYESAYNJVGUKZIO-UHFFFAOYSA-N
XLogP4.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide?
The IUPAC name of 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide (CID 23544173) is 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide is O=C(NCCCCc1ccccc1)c1ccccc1CNCc1ccc(O)cc1.
What is the InChIKey of 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide?
The InChIKey is YESAYNJVGUKZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-23-15-13-21(14-16-23)18-26-19-22-11-4-5-12-24(22)25(29)27-17-7-6-10-20-8-2-1-3-9-20/h1-5,8-9,11-16,26,28H,6-7,10,17-19H2,(H,27,29).
What are the key properties of 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide?
2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide has a molecular weight of 388.51 g/mol, XLogP of 4.43, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxyphenyl)methylamino]methyl]-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 23544173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).