N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide

C15H22N2O2 — CID 115191842

IUPACN'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CNC(=O)C(N)=O
InChIInChI=1S/C15H22N2O2/c1-9-6-11(15(3,4)5)7-10(2)12(9)8-17-14(19)13(16)18/h6-7H,8H2,1-5H3,(H2,16,18)(H,17,19)
InChIKeyDOEXAGUYKBQNKH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds2

About N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide

N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide (PubChem CID 115191842) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
PubChem CID115191842
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CNC(=O)C(N)=O
InChIInChI=1S/C15H22N2O2/c1-9-6-11(15(3,4)5)7-10(2)12(9)8-17-14(19)13(16)18/h6-7H,8H2,1-5H3,(H2,16,18)(H,17,19)
InChIKeyDOEXAGUYKBQNKH-UHFFFAOYSA-N
XLogP1.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038
2-amino-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 83540532
2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide
CID 115260120
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 96666593
N,3-bis(4-tert-butyl-2,6-dimethylphenyl)-2-oxopropanamide
CID 158717021
N'-[(2,3,4-trimethylphenyl)methyl]oxamide
CID 115191898
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
CID 115169248
4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
CID 116843609
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
CID 116848629

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide?
The IUPAC name of N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide (CID 115191842) is N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide is Cc1cc(C(C)(C)C)cc(C)c1CNC(=O)C(N)=O.
What is the InChIKey of N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide?
The InChIKey is DOEXAGUYKBQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-6-11(15(3,4)5)7-10(2)12(9)8-17-14(19)13(16)18/h6-7H,8H2,1-5H3,(H2,16,18)(H,17,19).
What are the key properties of N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide?
N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide is sourced from PubChem (CID 115191842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).