N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide

C58H84N2O6 — CID 71325318

IUPACN,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide
SMILESCC(C)(C)c1cc(N(C(=O)C(=O)N(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C58H84N2O6/c1-51(2,3)37-25-33(26-38(45(37)61)52(4,5)6)59(34-27-39(53(7,8)9)46(62)40(28-34)54(10,11)12)49(65)50(66)60(35-29-41(55(13,14)15)47(63)42(30-35)56(16,17)18)36-31-43(57(19,20)21)48(64)44(32-36)58(22,23)24/h25-32,61-64H,1-24H3
InChIKeyKJJRVMAFGKVVMJ-UHFFFAOYSA-N
MW905.32 g/mol
LogP14.92
Rot. Bonds4

About N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide

N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide (PubChem CID 71325318) has the molecular formula C58H84N2O6 and a molecular weight of 905.32 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide
PubChem CID71325318
Molecular FormulaC58H84N2O6
Molecular Weight905.32 g/mol
Exact Mass904.63
IUPAC NameN,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide
SMILESCC(C)(C)c1cc(N(C(=O)C(=O)N(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C58H84N2O6/c1-51(2,3)37-25-33(26-38(45(37)61)52(4,5)6)59(34-27-39(53(7,8)9)46(62)40(28-34)54(10,11)12)49(65)50(66)60(35-29-41(55(13,14)15)47(63)42(30-35)56(16,17)18)36-31-43(57(19,20)21)48(64)44(32-36)58(22,23)24/h25-32,61-64H,1-24H3
InChIKeyKJJRVMAFGKVVMJ-UHFFFAOYSA-N
XLogP14.92
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.32
LogP ≤ 514.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 23192818
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
CID 153384878
CID 153384878
lithium 3,5-ditert-butyl-4-hydroxybenzoate
CID 139788661
N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 171977413
N-tert-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanamide
CID 15537310
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-(nitrosomethyl)phenol
CID 54100018
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide?
The IUPAC name of N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide (CID 71325318) is N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide.
What is the SMILES notation for N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide?
The canonical SMILES for N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide is CC(C)(C)c1cc(N(C(=O)C(=O)N(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide?
The InChIKey is KJJRVMAFGKVVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H84N2O6/c1-51(2,3)37-25-33(26-38(45(37)61)52(4,5)6)59(34-27-39(53(7,8)9)46(62)40(28-34)54(10,11)12)49(65)50(66)60(35-29-41(55(13,14)15)47(63)42(30-35)56(16,17)18)36-31-43(57(19,20)21)48(64)44(32-36)58(22,23)24/h25-32,61-64H,1-24H3.
What are the key properties of N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide?
N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide has a molecular weight of 905.32 g/mol, XLogP of 14.92, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide is sourced from PubChem (CID 71325318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).