N'-(3,3-dimethylbutyl)-N'-methyloxamide

C9H18N2O2 — CID 115192175

IUPACN'-(3,3-dimethylbutyl)-N'-methyloxamide
SMILESCN(CCC(C)(C)C)C(=O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)5-6-11(4)8(13)7(10)12/h5-6H2,1-4H3,(H2,10,12)
InChIKeyPJWPGUMWHCLUFM-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.37
Rot. Bonds2

About N'-(3,3-dimethylbutyl)-N'-methyloxamide

N'-(3,3-dimethylbutyl)-N'-methyloxamide (PubChem CID 115192175) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N'-(3,3-dimethylbutyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-(3,3-dimethylbutyl)-N'-methyloxamide
PubChem CID115192175
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN'-(3,3-dimethylbutyl)-N'-methyloxamide
SMILESCN(CCC(C)(C)C)C(=O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)5-6-11(4)8(13)7(10)12/h5-6H2,1-4H3,(H2,10,12)
InChIKeyPJWPGUMWHCLUFM-UHFFFAOYSA-N
XLogP0.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.37
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

ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
2-amino-N-(3,3-dimethylbutyl)-N-methylpropanamide
CID 115152544
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
CID 176686856
N-(3,3-dimethylbutyl)-N-methyl-2-(methylamino)acetamide
CID 115152053
3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide
CID 115174001
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
N,N-dihydroxy-3,3-dimethylbutan-1-amine
CID 118571145
5,5-dimethyl-2-methylidenehexanamide
CID 118453407
N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
CID 138739134
N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
CID 115192179
carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
ethane;2,2,5,5-tetramethylhexanamide
CID 178049677

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutyl)-N'-methyloxamide?
The IUPAC name of N'-(3,3-dimethylbutyl)-N'-methyloxamide (CID 115192175) is N'-(3,3-dimethylbutyl)-N'-methyloxamide.
What is the SMILES notation for N'-(3,3-dimethylbutyl)-N'-methyloxamide?
The canonical SMILES for N'-(3,3-dimethylbutyl)-N'-methyloxamide is CN(CCC(C)(C)C)C(=O)C(N)=O.
What is the InChIKey of N'-(3,3-dimethylbutyl)-N'-methyloxamide?
The InChIKey is PJWPGUMWHCLUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)5-6-11(4)8(13)7(10)12/h5-6H2,1-4H3,(H2,10,12).
What are the key properties of N'-(3,3-dimethylbutyl)-N'-methyloxamide?
N'-(3,3-dimethylbutyl)-N'-methyloxamide has a molecular weight of 186.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutyl)-N'-methyloxamide is sourced from PubChem (CID 115192175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).