N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide

C18H20N2O3 — CID 108514330

IUPACN-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)12-8-10-13(11-9-12)19-16(22)17(23)20-14-6-4-5-7-15(14)21/h4-11,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyBQENXXVMYSOQCX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.27
Rot. Bonds2

About N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide

N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide (PubChem CID 108514330) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
PubChem CID108514330
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)12-8-10-13(11-9-12)19-16(22)17(23)20-14-6-4-5-7-15(14)21/h4-11,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyBQENXXVMYSOQCX-UHFFFAOYSA-N
XLogP3.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
CID 108529818
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108509442
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
N-(4-tert-butylphenyl)-2-(methylamino)benzamide
CID 60706403
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851
N-(2-hydroxyphenyl)-N'-propan-2-yloxamide
CID 108503255
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide (CID 108514330) is N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide is CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2O)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide?
The InChIKey is BQENXXVMYSOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)12-8-10-13(11-9-12)19-16(22)17(23)20-14-6-4-5-7-15(14)21/h4-11,21H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide?
N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide has a molecular weight of 312.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide is sourced from PubChem (CID 108514330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).