N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide

C22H28N2O4 — CID 10524086

IUPACN,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)C(=O)Nc2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C22H28N2O4/c1-21(2,3)13-7-9-17(25)15(11-13)23-19(27)20(28)24-16-12-14(22(4,5)6)8-10-18(16)26/h7-12,25-26H,1-6H3,(H,23,27)(H,24,28)
InChIKeyXONWHKYJMDFUKW-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.27
Rot. Bonds2

About N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide

N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide (PubChem CID 10524086) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
PubChem CID10524086
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)C(=O)Nc2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C22H28N2O4/c1-21(2,3)13-7-9-17(25)15(11-13)23-19(27)20(28)24-16-12-14(22(4,5)6)8-10-18(16)26/h7-12,25-26H,1-6H3,(H,23,27)(H,24,28)
InChIKeyXONWHKYJMDFUKW-UHFFFAOYSA-N
XLogP4.27
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one
CID 139061491
(Z)-4-(5-tert-butyl-2-hydroxyanilino)-4-oxobut-2-enoic acid
CID 101041653
N-(5-tert-butyl-2-hydroxyphenyl)pentanamide
CID 29265334
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
CID 108514330
N-(5-tert-butyl-2-hydroxyphenyl)tetradecanamide
CID 58819419
N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide
CID 47266829
(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
CID 51922854
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
4-tert-butyl-2-(propan-2-ylamino)phenol
CID 23106838

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide?
The IUPAC name of N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide (CID 10524086) is N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide.
What is the SMILES notation for N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide?
The canonical SMILES for N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide is CC(C)(C)c1ccc(O)c(NC(=O)C(=O)Nc2cc(C(C)(C)C)ccc2O)c1.
What is the InChIKey of N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide?
The InChIKey is XONWHKYJMDFUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-21(2,3)13-7-9-17(25)15(11-13)23-19(27)20(28)24-16-12-14(22(4,5)6)8-10-18(16)26/h7-12,25-26H,1-6H3,(H,23,27)(H,24,28).
What are the key properties of N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide?
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide has a molecular weight of 384.48 g/mol, XLogP of 4.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide is sourced from PubChem (CID 10524086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).