N,N'-di((113C)methyl)oxamide

C4H8N2O2 — CID 169438737

IUPACN,N'-di((113C)methyl)oxamide
SMILES[13CH3]N[13C](=O)[13C](=O)N[13CH3]
InChIInChI=1S/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)/i1+1,2+1,3+1,4+1
InChIKeyIPZCJUOJSODZNK-JCDJMFQYSA-N
MW120.09 g/mol
LogP-1.52
Rot. Bonds

About N,N'-di((113C)methyl)oxamide

N,N'-di((113C)methyl)oxamide (PubChem CID 169438737) has the molecular formula C4H8N2O2 and a molecular weight of 120.09 g/mol. Its IUPAC name is N,N'-di((113C)methyl)oxamide.

Molecular Properties

Compound NameN,N'-di((113C)methyl)oxamide
PubChem CID169438737
Molecular FormulaC4H8N2O2
Molecular Weight120.09 g/mol
Exact Mass120.07
IUPAC NameN,N'-di((113C)methyl)oxamide
SMILES[13CH3]N[13C](=O)[13C](=O)N[13CH3]
InChIInChI=1S/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)/i1+1,2+1,3+1,4+1
InChIKeyIPZCJUOJSODZNK-JCDJMFQYSA-N
XLogP-1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 5-1.52
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

ethane;N'-methyloxamide
CID 176938398
N,2-dimethylprop-2-enamide;ethane
CID 142291054
3-hydroxy-N-methyl-2-oxopropanamide
CID 88958947
(Z)-N-methyl-2-(methylamino)but-2-enamide
CID 88684309
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
ethane;N-methyl-2-oxobutanamide
CID 143884065
2-fluoro-N-methylbut-2-enamide
CID 76578732
methanesulfonamide;N-methyl-N'-sulfanyloxamide
CID 146316765
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
CID 130666774
CID 159556955
CID 159556955
CID 174070386
CID 174070386

Frequently Asked Questions

What is the IUPAC name of N,N'-di((113C)methyl)oxamide?
The IUPAC name of N,N'-di((113C)methyl)oxamide (CID 169438737) is N,N'-di((113C)methyl)oxamide.
What is the SMILES notation for N,N'-di((113C)methyl)oxamide?
The canonical SMILES for N,N'-di((113C)methyl)oxamide is [13CH3]N[13C](=O)[13C](=O)N[13CH3].
What is the InChIKey of N,N'-di((113C)methyl)oxamide?
The InChIKey is IPZCJUOJSODZNK-JCDJMFQYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)/i1+1,2+1,3+1,4+1.
What are the key properties of N,N'-di((113C)methyl)oxamide?
N,N'-di((113C)methyl)oxamide has a molecular weight of 120.09 g/mol, XLogP of -1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di((113C)methyl)oxamide is sourced from PubChem (CID 169438737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).