N'-[(2,3,4-trimethylphenyl)methyl]oxamide

C12H16N2O2 — CID 115191898

IUPACN'-[(2,3,4-trimethylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(N)=O)c(C)c1C
InChIInChI=1S/C12H16N2O2/c1-7-4-5-10(9(3)8(7)2)6-14-12(16)11(13)15/h4-5H,6H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyOBJFFJYJRIMAID-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.71
Rot. Bonds2

About N'-[(2,3,4-trimethylphenyl)methyl]oxamide

N'-[(2,3,4-trimethylphenyl)methyl]oxamide (PubChem CID 115191898) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N'-[(2,3,4-trimethylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2,3,4-trimethylphenyl)methyl]oxamide
PubChem CID115191898
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN'-[(2,3,4-trimethylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(N)=O)c(C)c1C
InChIInChI=1S/C12H16N2O2/c1-7-4-5-10(9(3)8(7)2)6-14-12(16)11(13)15/h4-5H,6H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyOBJFFJYJRIMAID-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.71
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-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115152411
2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115179916
N'-(2,3,4-trimethylphenyl)oxamide
CID 115191617
N'-[(2,3,4-trimethylphenyl)methyl]methanediamine
CID 115225803
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
5-[(2,3,4-trimethylphenyl)methylamino]pentan-2-one
CID 115236544
2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 90019133
N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
CID 115191842
2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221551
[(2,3,4-trimethylphenyl)methylamino]methanethiol
CID 115228002

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3,4-trimethylphenyl)methyl]oxamide?
The IUPAC name of N'-[(2,3,4-trimethylphenyl)methyl]oxamide (CID 115191898) is N'-[(2,3,4-trimethylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(2,3,4-trimethylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(2,3,4-trimethylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(N)=O)c(C)c1C.
What is the InChIKey of N'-[(2,3,4-trimethylphenyl)methyl]oxamide?
The InChIKey is OBJFFJYJRIMAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-4-5-10(9(3)8(7)2)6-14-12(16)11(13)15/h4-5H,6H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N'-[(2,3,4-trimethylphenyl)methyl]oxamide?
N'-[(2,3,4-trimethylphenyl)methyl]oxamide has a molecular weight of 220.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3,4-trimethylphenyl)methyl]oxamide is sourced from PubChem (CID 115191898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).