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

C28H26N2O2 — CID 25159323

IUPAC4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C28H26N2O2/c1-30(19-21-8-4-2-5-9-21)20-22-12-14-24(15-13-22)28(32)29-26-18-25(16-17-27(26)31)23-10-6-3-7-11-23/h2-18,31H,19-20H2,1H3,(H,29,32)
InChIKeySTXMCDNBLPWFBQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.94
Rot. Bonds7

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

4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide (PubChem CID 25159323) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
PubChem CID25159323
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C28H26N2O2/c1-30(19-21-8-4-2-5-9-21)20-22-12-14-24(15-13-22)28(32)29-26-18-25(16-17-27(26)31)23-10-6-3-7-11-23/h2-18,31H,19-20H2,1H3,(H,29,32)
InChIKeySTXMCDNBLPWFBQ-UHFFFAOYSA-N
XLogP5.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.94
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 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The IUPAC name of 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide (CID 25159323) is 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide.
What is the SMILES notation for 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The canonical SMILES for 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide is CN(Cc1ccccc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1.
What is the InChIKey of 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The InChIKey is STXMCDNBLPWFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-30(19-21-8-4-2-5-9-21)20-22-12-14-24(15-13-22)28(32)29-26-18-25(16-17-27(26)31)23-10-6-3-7-11-23/h2-18,31H,19-20H2,1H3,(H,29,32).
What are the key properties of 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)amino]methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide is sourced from PubChem (CID 25159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).