N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide

C15H22N2O2 — CID 115192000

IUPACN'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
SMILESCc1cc(C(C)(C)C)ccc1CN(C)C(=O)C(N)=O
InChIInChI=1S/C15H22N2O2/c1-10-8-12(15(2,3)4)7-6-11(10)9-17(5)14(19)13(16)18/h6-8H,9H2,1-5H3,(H2,16,18)
InChIKeyVPILZNAZTOCOOL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.74
Rot. Bonds2

About N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide

N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide (PubChem CID 115192000) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
PubChem CID115192000
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
SMILESCc1cc(C(C)(C)C)ccc1CN(C)C(=O)C(N)=O
InChIInChI=1S/C15H22N2O2/c1-10-8-12(15(2,3)4)7-6-11(10)9-17(5)14(19)13(16)18/h6-8H,9H2,1-5H3,(H2,16,18)
InChIKeyVPILZNAZTOCOOL-UHFFFAOYSA-N
XLogP1.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.74
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]-1-cyano-N-methylformamide
CID 115172381
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151986
(5-tert-butyl-2-methylphenyl)methyl-methylcarbamothioic S-acid
CID 115170095
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139147
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140102
2-(4-tert-butyl-2-methylphenyl)ethyl propanoate
CID 57130861
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205937
2-[(4-tert-butyl-2-methylphenyl)methyl-methylamino]acetonitrile
CID 115131135

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide?
The IUPAC name of N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide (CID 115192000) is N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide?
The canonical SMILES for N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide is Cc1cc(C(C)(C)C)ccc1CN(C)C(=O)C(N)=O.
What is the InChIKey of N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide?
The InChIKey is VPILZNAZTOCOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-12(15(2,3)4)7-6-11(10)9-17(5)14(19)13(16)18/h6-8H,9H2,1-5H3,(H2,16,18).
What are the key properties of N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide?
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide has a molecular weight of 262.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 115192000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).