N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide

C28H26N2O3 — CID 59627323

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide
SMILESCOc1cccc(CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)c1
InChIInChI=1S/C28H26N2O3/c1-33-25-9-5-6-21(16-25)19-29-18-20-10-12-23(13-11-20)28(32)30-26-17-24(14-15-27(26)31)22-7-3-2-4-8-22/h2-17,29,31H,18-19H2,1H3,(H,30,32)
InChIKeyFDZHKPIVKVFYRH-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.61
Rot. Bonds8

About N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide (PubChem CID 59627323) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide
PubChem CID59627323
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide
SMILESCOc1cccc(CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)c1
InChIInChI=1S/C28H26N2O3/c1-33-25-9-5-6-21(16-25)19-29-18-20-10-12-23(13-11-20)28(32)30-26-17-24(14-15-27(26)31)22-7-3-2-4-8-22/h2-17,29,31H,18-19H2,1H3,(H,30,32)
InChIKeyFDZHKPIVKVFYRH-UHFFFAOYSA-N
XLogP5.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]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 N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide (CID 59627323) is N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide is COc1cccc(CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)c1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide?
The InChIKey is FDZHKPIVKVFYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-33-25-9-5-6-21(16-25)19-29-18-20-10-12-23(13-11-20)28(32)30-26-17-24(14-15-27(26)31)22-7-3-2-4-8-22/h2-17,29,31H,18-19H2,1H3,(H,30,32).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 5.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 59627323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).