N-acetyl-N,2-dimethylbutanamide;ethane

C14H33NO2 — CID 177191863

IUPACN-acetyl-N,2-dimethylbutanamide;ethane
SMILESCC.CC.CC.CCC(C)C(=O)N(C)C(C)=O
InChIInChI=1S/C8H15NO2.3C2H6/c1-5-6(2)8(11)9(4)7(3)10;3*1-2/h6H,5H2,1-4H3;3*1-2H3
InChIKeyIQCJOHORFIFHPF-UHFFFAOYSA-N
MW247.42 g/mol
LogP4.12
Rot. Bonds2

About N-acetyl-N,2-dimethylbutanamide;ethane

N-acetyl-N,2-dimethylbutanamide;ethane (PubChem CID 177191863) has the molecular formula C14H33NO2 and a molecular weight of 247.42 g/mol. Its IUPAC name is N-acetyl-N,2-dimethylbutanamide;ethane.

Molecular Properties

Compound NameN-acetyl-N,2-dimethylbutanamide;ethane
PubChem CID177191863
Molecular FormulaC14H33NO2
Molecular Weight247.42 g/mol
Exact Mass247.25
IUPAC NameN-acetyl-N,2-dimethylbutanamide;ethane
SMILESCC.CC.CC.CCC(C)C(=O)N(C)C(C)=O
InChIInChI=1S/C8H15NO2.3C2H6/c1-5-6(2)8(11)9(4)7(3)10;3*1-2/h6H,5H2,1-4H3;3*1-2H3
InChIKeyIQCJOHORFIFHPF-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium
CID 162288992
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N-ethyl-N,2-dimethylbutanamide
CID 89343843
N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
CID 142005594
N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N,2-dimethyl-N-propylbutanamide
CID 89368936
N-acetyl-N-methylpropanamide;ethane
CID 143328121
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
ethane;2-methylbutanoic acid
CID 87621166
N-methyl-N-(2-methylbutanethioyl)propanamide
CID 155185491
ethane;methyl (2R)-2-methylbutanoate
CID 143689114

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N,2-dimethylbutanamide;ethane?
The IUPAC name of N-acetyl-N,2-dimethylbutanamide;ethane (CID 177191863) is N-acetyl-N,2-dimethylbutanamide;ethane.
What is the SMILES notation for N-acetyl-N,2-dimethylbutanamide;ethane?
The canonical SMILES for N-acetyl-N,2-dimethylbutanamide;ethane is CC.CC.CC.CCC(C)C(=O)N(C)C(C)=O.
What is the InChIKey of N-acetyl-N,2-dimethylbutanamide;ethane?
The InChIKey is IQCJOHORFIFHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.3C2H6/c1-5-6(2)8(11)9(4)7(3)10;3*1-2/h6H,5H2,1-4H3;3*1-2H3.
What are the key properties of N-acetyl-N,2-dimethylbutanamide;ethane?
N-acetyl-N,2-dimethylbutanamide;ethane has a molecular weight of 247.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N,2-dimethylbutanamide;ethane is sourced from PubChem (CID 177191863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).