N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide

C26H29NO3 — CID 18716877

IUPACN-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cc(O)c(C(=O)Nc3cc(C)cc(C(C)(C)C)c3O)cc2C)cc1
InChIInChI=1S/C26H29NO3/c1-15-7-9-18(10-8-15)19-14-23(28)20(13-17(19)3)25(30)27-22-12-16(2)11-21(24(22)29)26(4,5)6/h7-14,28-29H,1-6H3,(H,27,30)
InChIKeyBJBPZESEMPAZIA-UHFFFAOYSA-N
MW403.52 g/mol
LogP6.24
Rot. Bonds3

About N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide

N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide (PubChem CID 18716877) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide
PubChem CID18716877
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cc(O)c(C(=O)Nc3cc(C)cc(C(C)(C)C)c3O)cc2C)cc1
InChIInChI=1S/C26H29NO3/c1-15-7-9-18(10-8-15)19-14-23(28)20(13-17(19)3)25(30)27-22-12-16(2)11-21(24(22)29)26(4,5)6/h7-14,28-29H,1-6H3,(H,27,30)
InChIKeyBJBPZESEMPAZIA-UHFFFAOYSA-N
XLogP6.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)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

N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide
CID 18716979
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
2-tert-butyl-4,6-dimethylphenol
CID 87814182
3-tert-butyl-2-hydroxy-5-methylbenzoic acid
CID 3736139
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
CID 107723124

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide?
The IUPAC name of N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide (CID 18716877) is N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide.
What is the SMILES notation for N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide?
The canonical SMILES for N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide is Cc1ccc(-c2cc(O)c(C(=O)Nc3cc(C)cc(C(C)(C)C)c3O)cc2C)cc1.
What is the InChIKey of N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide?
The InChIKey is BJBPZESEMPAZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-15-7-9-18(10-8-15)19-14-23(28)20(13-17(19)3)25(30)27-22-12-16(2)11-21(24(22)29)26(4,5)6/h7-14,28-29H,1-6H3,(H,27,30).
What are the key properties of N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide?
N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide has a molecular weight of 403.52 g/mol, XLogP of 6.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 18716877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).