N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide

C29H28N2O2 — CID 25155161

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide
SMILESCN(CCc1ccccc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C29H28N2O2/c1-31(19-18-22-8-4-2-5-9-22)21-23-12-14-25(15-13-23)29(33)30-27-20-26(16-17-28(27)32)24-10-6-3-7-11-24/h2-17,20,32H,18-19,21H2,1H3,(H,30,33)
InChIKeyQLCOEJYICBXAED-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.99
Rot. Bonds8

About N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide (PubChem CID 25155161) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide
PubChem CID25155161
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide
SMILESCN(CCc1ccccc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C29H28N2O2/c1-31(19-18-22-8-4-2-5-9-22)21-23-12-14-25(15-13-23)29(33)30-27-20-26(16-17-28(27)32)24-10-6-3-7-11-24/h2-17,20,32H,18-19,21H2,1H3,(H,30,33)
InChIKeyQLCOEJYICBXAED-UHFFFAOYSA-N
XLogP5.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide (CID 25155161) is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide is CN(CCc1ccccc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide?
The InChIKey is QLCOEJYICBXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-31(19-18-22-8-4-2-5-9-22)21-23-12-14-25(15-13-23)29(33)30-27-20-26(16-17-28(27)32)24-10-6-3-7-11-24/h2-17,20,32H,18-19,21H2,1H3,(H,30,33).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-phenylethyl)amino]methyl]benzamide is sourced from PubChem (CID 25155161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).