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

C26H30N2O2 — CID 23544106

IUPAC2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccccc1CNCCc1cccc(O)c1
InChIInChI=1S/C26H30N2O2/c29-24-14-8-12-22(19-24)16-18-27-20-23-13-4-5-15-25(23)26(30)28-17-7-6-11-21-9-2-1-3-10-21/h1-5,8-10,12-15,19,27,29H,6-7,11,16-18,20H2,(H,28,30)
InChIKeyNTMAZTWUYVHHDC-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.48
Rot. Bonds11

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

2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide (PubChem CID 23544106) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
PubChem CID23544106
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccccc1CNCCc1cccc(O)c1
InChIInChI=1S/C26H30N2O2/c29-24-14-8-12-22(19-24)16-18-27-20-23-13-4-5-15-25(23)26(30)28-17-7-6-11-21-9-2-1-3-10-21/h1-5,8-10,12-15,19,27,29H,6-7,11,16-18,20H2,(H,28,30)
InChIKeyNTMAZTWUYVHHDC-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'}

Analyze 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The IUPAC name of 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide (CID 23544106) is 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide is O=C(NCCCCc1ccccc1)c1ccccc1CNCCc1cccc(O)c1.
What is the InChIKey of 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The InChIKey is NTMAZTWUYVHHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c29-24-14-8-12-22(19-24)16-18-27-20-23-13-4-5-15-25(23)26(30)28-17-7-6-11-21-9-2-1-3-10-21/h1-5,8-10,12-15,19,27,29H,6-7,11,16-18,20H2,(H,28,30).
What are the key properties of 2-[[2-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
2-[[2-(3-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-(3-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 23544106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).