3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide

C29H34N2O2 — CID 6382208

IUPAC3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H34N2O2/c1-19(20-13-15-22(16-14-20)21-11-9-8-10-12-21)30-31-27(33)23-17-24(28(2,3)4)26(32)25(18-23)29(5,6)7/h8-18,32H,1-7H3,(H,31,33)/b30-19-
InChIKeyOEQHSJFJNBTIMJ-FSGOGVSDSA-N
MW442.60 g/mol
LogP6.81
Rot. Bonds4

About 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide

3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide (PubChem CID 6382208) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
PubChem CID6382208
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H34N2O2/c1-19(20-13-15-22(16-14-20)21-11-9-8-10-12-21)30-31-27(33)23-17-24(28(2,3)4)26(32)25(18-23)29(5,6)7/h8-18,32H,1-7H3,(H,31,33)/b30-19-
InChIKeyOEQHSJFJNBTIMJ-FSGOGVSDSA-N
XLogP6.81
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide
CID 139795293
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136914771
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 135683679
2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 1136936
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide (CID 6382208) is 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The InChIKey is OEQHSJFJNBTIMJ-FSGOGVSDSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-19(20-13-15-22(16-14-20)21-11-9-8-10-12-21)30-31-27(33)23-17-24(28(2,3)4)26(32)25(18-23)29(5,6)7/h8-18,32H,1-7H3,(H,31,33)/b30-19-.
What are the key properties of 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide?
3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide has a molecular weight of 442.60 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6382208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).