N'-tert-butyl-N,N'-diphenyloxamide

C18H20N2O2 — CID 141062085

IUPACN'-tert-butyl-N,N'-diphenyloxamide
SMILESCC(C)(C)N(C(=O)C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)20(15-12-8-5-9-13-15)17(22)16(21)19-14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21)
InChIKeyKLVLJGFIDVAMEO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.46
Rot. Bonds2

About N'-tert-butyl-N,N'-diphenyloxamide

N'-tert-butyl-N,N'-diphenyloxamide (PubChem CID 141062085) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-tert-butyl-N,N'-diphenyloxamide.

Molecular Properties

Compound NameN'-tert-butyl-N,N'-diphenyloxamide
PubChem CID141062085
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN'-tert-butyl-N,N'-diphenyloxamide
SMILESCC(C)(C)N(C(=O)C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)20(15-12-8-5-9-13-15)17(22)16(21)19-14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21)
InChIKeyKLVLJGFIDVAMEO-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N',N'-triphenyloxamide
CID 54357836
1-tert-butyl-1-phenylurea
CID 19102233
N',N'-diethyl-N-phenyloxamide
CID 14925038
potassium 2-anilino-2-oxoacetate
CID 23690423
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
CID 14383795
1,1-diphenyl-3-(phenylcarbamoyl)urea
CID 71359478
N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
N'-hydroxy-N-phenyloxamide
CID 5008441
2-anilino-N-phenylprop-2-enamide
CID 20522355
3,3-difluoro-N-phenylbutanamide
CID 131059355
cobalt;N-phenylacetamide
CID 158689050

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N,N'-diphenyloxamide?
The IUPAC name of N'-tert-butyl-N,N'-diphenyloxamide (CID 141062085) is N'-tert-butyl-N,N'-diphenyloxamide.
What is the SMILES notation for N'-tert-butyl-N,N'-diphenyloxamide?
The canonical SMILES for N'-tert-butyl-N,N'-diphenyloxamide is CC(C)(C)N(C(=O)C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of N'-tert-butyl-N,N'-diphenyloxamide?
The InChIKey is KLVLJGFIDVAMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2,3)20(15-12-8-5-9-13-15)17(22)16(21)19-14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21).
What are the key properties of N'-tert-butyl-N,N'-diphenyloxamide?
N'-tert-butyl-N,N'-diphenyloxamide has a molecular weight of 296.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N,N'-diphenyloxamide is sourced from PubChem (CID 141062085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).