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

C28H26N2O3 — CID 25155164

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCOc2ccccc2)cc1
InChIInChI=1S/C28H26N2O3/c31-27-16-15-24(22-7-3-1-4-8-22)19-26(27)30-28(32)23-13-11-21(12-14-23)20-29-17-18-33-25-9-5-2-6-10-25/h1-16,19,29,31H,17-18,20H2,(H,30,32)
InChIKeyFWQISZQFIBFTJR-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.48
Rot. Bonds9

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

N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide (PubChem CID 25155164) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide
PubChem CID25155164
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCOc2ccccc2)cc1
InChIInChI=1S/C28H26N2O3/c31-27-16-15-24(22-7-3-1-4-8-22)19-26(27)30-28(32)23-13-11-21(12-14-23)20-29-17-18-33-25-9-5-2-6-10-25/h1-16,19,29,31H,17-18,20H2,(H,30,32)
InChIKeyFWQISZQFIBFTJR-UHFFFAOYSA-N
XLogP5.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-phenoxyethylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide (CID 25155164) is N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCOc2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide?
The InChIKey is FWQISZQFIBFTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c31-27-16-15-24(22-7-3-1-4-8-22)19-26(27)30-28(32)23-13-11-21(12-14-23)20-29-17-18-33-25-9-5-2-6-10-25/h1-16,19,29,31H,17-18,20H2,(H,30,32).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(2-phenoxyethylamino)methyl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 5.48, 9 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-[(2-phenoxyethylamino)methyl]benzamide is sourced from PubChem (CID 25155164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).