N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane

C13H29NO — CID 176686856

IUPACN-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
SMILESCC.CCCC(=O)N(C)CCC(C)(C)C
InChIInChI=1S/C11H23NO.C2H6/c1-6-7-10(13)12(5)9-8-11(2,3)4;1-2/h6-9H2,1-5H3;1-2H3
InChIKeyKXYZQGQUGDDSSA-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.71
Rot. Bonds4

About N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane

N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane (PubChem CID 176686856) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
PubChem CID176686856
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
SMILESCC.CCCC(=O)N(C)CCC(C)(C)C
InChIInChI=1S/C11H23NO.C2H6/c1-6-7-10(13)12(5)9-8-11(2,3)4;1-2/h6-9H2,1-5H3;1-2H3
InChIKeyKXYZQGQUGDDSSA-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide
CID 115174001
N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane
CID 155713628
N-(3,3-dimethylbutyl)-N-methyl-2-(methylamino)acetamide
CID 115152053
ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
N-(3-fluoropropyl)-N-methylbutanamide
CID 169103064
N-(3,3-dimethylbutyl)-9-ethyl-N,9,12,12,16,16,19,19,24,24-decamethylpentacosanamide
CID 166648788
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
N-(aminomethyl)-N-methylbutanamide
CID 155070465
N'-(3,3-dimethylbutyl)-N'-methyloxamide
CID 115192175
2-[butanoyl(methyl)amino]ethyl acetate
CID 153197952
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane?
The IUPAC name of N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane (CID 176686856) is N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane is CC.CCCC(=O)N(C)CCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane?
The InChIKey is KXYZQGQUGDDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-6-7-10(13)12(5)9-8-11(2,3)4;1-2/h6-9H2,1-5H3;1-2H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane?
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane has a molecular weight of 215.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane is sourced from PubChem (CID 176686856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).