N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide

C21H26N2O2 — CID 3590533

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide
SMILESCC(C)(C)c1cc(/N=N/C(=O)c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H26N2O2/c1-20(2,3)16-12-15(13-17(18(16)24)21(4,5)6)22-23-19(25)14-10-8-7-9-11-14/h7-13,24H,1-6H3/b23-22+
InChIKeyCHKHJSDLKSFTSN-GHVJWSGMSA-N
MW338.45 g/mol
LogP5.91
Rot. Bonds2

About N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide

N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide (PubChem CID 3590533) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide
PubChem CID3590533
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide
SMILESCC(C)(C)c1cc(/N=N/C(=O)c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H26N2O2/c1-20(2,3)16-12-15(13-17(18(16)24)21(4,5)6)22-23-19(25)14-10-8-7-9-11-14/h7-13,24H,1-6H3/b23-22+
InChIKeyCHKHJSDLKSFTSN-GHVJWSGMSA-N
XLogP5.91
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide (CID 3590533) is N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide is CC(C)(C)c1cc(/N=N/C(=O)c2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide?
The InChIKey is CHKHJSDLKSFTSN-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-20(2,3)16-12-15(13-17(18(16)24)21(4,5)6)22-23-19(25)14-10-8-7-9-11-14/h7-13,24H,1-6H3/b23-22+.
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide has a molecular weight of 338.45 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)iminobenzamide is sourced from PubChem (CID 3590533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).