2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide

C35H32N2O4 — CID 15296786

IUPAC2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3C(c3ccc(O)cc3)c3ccc(O)cc3)cn2)cc1
InChIInChI=1S/C35H32N2O4/c1-35(2,3)25-12-19-29(20-13-25)41-32-21-14-26(22-36-32)37-34(40)31-7-5-4-6-30(31)33(23-8-15-27(38)16-9-23)24-10-17-28(39)18-11-24/h4-22,33,38-39H,1-3H3,(H,37,40)
InChIKeyPBPKRVQJKRVMJF-UHFFFAOYSA-N
MW544.65 g/mol
LogP8.02
Rot. Bonds7

About 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide

2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide (PubChem CID 15296786) has the molecular formula C35H32N2O4 and a molecular weight of 544.65 g/mol. Its IUPAC name is 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide
PubChem CID15296786
Molecular FormulaC35H32N2O4
Molecular Weight544.65 g/mol
Exact Mass544.24
IUPAC Name2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3C(c3ccc(O)cc3)c3ccc(O)cc3)cn2)cc1
InChIInChI=1S/C35H32N2O4/c1-35(2,3)25-12-19-29(20-13-25)41-32-21-14-26(22-36-32)37-34(40)31-7-5-4-6-30(31)33(23-8-15-27(38)16-9-23)24-10-17-28(39)18-11-24/h4-22,33,38-39H,1-3H3,(H,37,40)
InChIKeyPBPKRVQJKRVMJF-UHFFFAOYSA-N
XLogP8.02
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 58.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-thiophen-2-ylurea
CID 2814277
N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide
CID 150187824
2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide
CID 15296782
2-methoxy-N-[6-(3-methylphenoxy)-3-pyridinyl]benzamide
CID 42878441
2-(ethylamino)-N-(6-methoxy-3-pyridinyl)benzamide
CID 62165993
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 12878239
3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 18289170
3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47789323

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide?
The IUPAC name of 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide (CID 15296786) is 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide is CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3C(c3ccc(O)cc3)c3ccc(O)cc3)cn2)cc1.
What is the InChIKey of 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide?
The InChIKey is PBPKRVQJKRVMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O4/c1-35(2,3)25-12-19-29(20-13-25)41-32-21-14-26(22-36-32)37-34(40)31-7-5-4-6-30(31)33(23-8-15-27(38)16-9-23)24-10-17-28(39)18-11-24/h4-22,33,38-39H,1-3H3,(H,37,40).
What are the key properties of 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide?
2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide has a molecular weight of 544.65 g/mol, XLogP of 8.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 15296786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).