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

C24H26N2O2 — CID 25158540

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
SMILESCC(C)CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C24H26N2O2/c1-17(2)15-25-16-18-8-10-20(11-9-18)24(28)26-22-14-21(12-13-23(22)27)19-6-4-3-5-7-19/h3-14,17,25,27H,15-16H2,1-2H3,(H,26,28)
InChIKeyYLMXYRPQVCWEQW-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.06
Rot. Bonds7

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

N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide (PubChem CID 25158540) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
PubChem CID25158540
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
SMILESCC(C)CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C24H26N2O2/c1-17(2)15-25-16-18-8-10-20(11-9-18)24(28)26-22-14-21(12-13-23(22)27)19-6-4-3-5-7-19/h3-14,17,25,27H,15-16H2,1-2H3,(H,26,28)
InChIKeyYLMXYRPQVCWEQW-UHFFFAOYSA-N
XLogP5.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.06
H-Bond Donors ≤ 53
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 N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide (CID 25158540) is N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide is CC(C)CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide?
The InChIKey is YLMXYRPQVCWEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17(2)15-25-16-18-8-10-20(11-9-18)24(28)26-22-14-21(12-13-23(22)27)19-6-4-3-5-7-19/h3-14,17,25,27H,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide has a molecular weight of 374.48 g/mol, XLogP of 5.06, 7 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-[(2-methylpropylamino)methyl]benzamide is sourced from PubChem (CID 25158540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).