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

C28H27N3O2 — CID 59627347

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide
SMILESCN(CCc1ccncc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C28H27N3O2/c1-31(18-15-21-13-16-29-17-14-21)20-22-7-9-24(10-8-22)28(33)30-26-19-25(11-12-27(26)32)23-5-3-2-4-6-23/h2-14,16-17,19,32H,15,18,20H2,1H3,(H,30,33)
InChIKeyXTTJXNRWEIWGIJ-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.38
Rot. Bonds8

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

N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide (PubChem CID 59627347) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide
PubChem CID59627347
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide
SMILESCN(CCc1ccncc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C28H27N3O2/c1-31(18-15-21-13-16-29-17-14-21)20-22-7-9-24(10-8-22)28(33)30-26-19-25(11-12-27(26)32)23-5-3-2-4-6-23/h2-14,16-17,19,32H,15,18,20H2,1H3,(H,30,33)
InChIKeyXTTJXNRWEIWGIJ-UHFFFAOYSA-N
XLogP5.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pyridin-4-ylethyl)amino]methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide (CID 59627347) is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide is CN(CCc1ccncc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide?
The InChIKey is XTTJXNRWEIWGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-31(18-15-21-13-16-29-17-14-21)20-22-7-9-24(10-8-22)28(33)30-26-19-25(11-12-27(26)32)23-5-3-2-4-6-23/h2-14,16-17,19,32H,15,18,20H2,1H3,(H,30,33).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide is sourced from PubChem (CID 59627347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).