3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide

C25H35NO2 — CID 58729892

IUPAC3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)CCc2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)ccc1O
InChIInChI=1S/C25H35NO2/c1-16-13-19(10-11-22(16)27)26-23(28)12-9-18-14-20(24(3,4)5)17(2)21(15-18)25(6,7)8/h10-11,13-15,27H,9,12H2,1-8H3,(H,26,28)
InChIKeyJSJWKAYYUVFERI-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.18
Rot. Bonds4

About 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide

3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide (PubChem CID 58729892) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide
PubChem CID58729892
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)CCc2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)ccc1O
InChIInChI=1S/C25H35NO2/c1-16-13-19(10-11-22(16)27)26-23(28)12-9-18-14-20(24(3,4)5)17(2)21(15-18)25(6,7)8/h10-11,13-15,27H,9,12H2,1-8H3,(H,26,28)
InChIKeyJSJWKAYYUVFERI-UHFFFAOYSA-N
XLogP6.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide 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

3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide
CID 59266075
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-octoxyphenyl)propanamide
CID 58031341
N-[3-[[3-tert-butyl-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 89077882
N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 143303161
N-(4-hydroxy-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602921
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium
CID 58729890
4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
CID 56517357
3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide
CID 58875625
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide
CID 59265267
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-[[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-5-prop-1-en-2-ylphenyl]methyl]-4-hydroxyphenyl]propanamide
CID 89079945

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide (CID 58729892) is 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide is Cc1cc(NC(=O)CCc2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)ccc1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide?
The InChIKey is JSJWKAYYUVFERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-16-13-19(10-11-22(16)27)26-23(28)12-9-18-14-20(24(3,4)5)17(2)21(15-18)25(6,7)8/h10-11,13-15,27H,9,12H2,1-8H3,(H,26,28).
What are the key properties of 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide?
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide has a molecular weight of 381.56 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide is sourced from PubChem (CID 58729892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).