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

C26H30N2O2 — CID 10024067

IUPAC2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1
InChIInChI=1S/C26H30N2O2/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/h1-5,8-9,11-16,27,29H,6-7,10,17-20H2,(H,28,30)
InChIKeyBGOPAGLWCIUNMW-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.48
Rot. Bonds11

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

2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide (PubChem CID 10024067) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
PubChem CID10024067
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1
InChIInChI=1S/C26H30N2O2/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/h1-5,8-9,11-16,27,29H,6-7,10,17-20H2,(H,28,30)
InChIKeyBGOPAGLWCIUNMW-UHFFFAOYSA-N
XLogP4.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.48
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-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The IUPAC name of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide (CID 10024067) is 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide is O=C(NCCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1.
What is the InChIKey of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The InChIKey is BGOPAGLWCIUNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/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/h1-5,8-9,11-16,27,29H,6-7,10,17-20H2,(H,28,30).
What are the key properties of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide has a molecular weight of 402.54 g/mol, XLogP of 4.48, 11 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-phenylbutyl)benzamide is sourced from PubChem (CID 10024067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).