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

C29H28N2O2 — CID 25159324

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCc2ccccc2)cc1
InChIInChI=1S/C29H28N2O2/c32-28-18-17-26(24-11-5-2-6-12-24)20-27(28)31-29(33)25-15-13-23(14-16-25)21-30-19-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-18,20,30,32H,7,10,19,21H2,(H,31,33)
InChIKeyFYSIXIORWIWYIT-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.03
Rot. Bonds9

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

N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide (PubChem CID 25159324) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide
PubChem CID25159324
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCc2ccccc2)cc1
InChIInChI=1S/C29H28N2O2/c32-28-18-17-26(24-11-5-2-6-12-24)20-27(28)31-29(33)25-15-13-23(14-16-25)21-30-19-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-18,20,30,32H,7,10,19,21H2,(H,31,33)
InChIKeyFYSIXIORWIWYIT-UHFFFAOYSA-N
XLogP6.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(3-phenylpropylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide (CID 25159324) is N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCc2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide?
The InChIKey is FYSIXIORWIWYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c32-28-18-17-26(24-11-5-2-6-12-24)20-27(28)31-29(33)25-15-13-23(14-16-25)21-30-19-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-18,20,30,32H,7,10,19,21H2,(H,31,33).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 6.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[(3-phenylpropylamino)methyl]benzamide is sourced from PubChem (CID 25159324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).