N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide

C14H20N2O2 — CID 115191922

IUPACN'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-14(2,3)11-7-5-10(6-8-11)9-16(4)13(18)12(15)17/h5-8H,9H2,1-4H3,(H2,15,17)
InChIKeyIJRSKGZXOQGZOK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds2

About N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide

N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide (PubChem CID 115191922) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
PubChem CID115191922
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-14(2,3)11-7-5-10(6-8-11)9-16(4)13(18)12(15)17/h5-8H,9H2,1-4H3,(H2,15,17)
InChIKeyIJRSKGZXOQGZOK-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
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'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
CID 115192000
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
N-[(4-tert-butylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172283
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758
(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
CID 103793940
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N-[(4-tert-butylphenyl)methyl]-3-cyano-N-methylpropanamide
CID 94692251
3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 43186214
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide?
The IUPAC name of N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide (CID 115191922) is N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide?
The canonical SMILES for N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(N)=O.
What is the InChIKey of N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide?
The InChIKey is IJRSKGZXOQGZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)11-7-5-10(6-8-11)9-16(4)13(18)12(15)17/h5-8H,9H2,1-4H3,(H2,15,17).
What are the key properties of N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide?
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide has a molecular weight of 248.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 115191922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).