N-(2-hydroxybutyl)-N-methylacetamide;methane

C8H19NO2 — CID 158717174

IUPACN-(2-hydroxybutyl)-N-methylacetamide;methane
SMILESC.CCC(O)CN(C)C(C)=O
InChIInChI=1S/C7H15NO2.CH4/c1-4-7(10)5-8(3)6(2)9;/h7,10H,4-5H2,1-3H3;1H4
InChIKeyIJLLDHQYZUEKQV-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.87
Rot. Bonds3

About N-(2-hydroxybutyl)-N-methylacetamide;methane

N-(2-hydroxybutyl)-N-methylacetamide;methane (PubChem CID 158717174) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-N-methylacetamide;methane.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-N-methylacetamide;methane
PubChem CID158717174
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC NameN-(2-hydroxybutyl)-N-methylacetamide;methane
SMILESC.CCC(O)CN(C)C(C)=O
InChIInChI=1S/C7H15NO2.CH4/c1-4-7(10)5-8(3)6(2)9;/h7,10H,4-5H2,1-3H3;1H4
InChIKeyIJLLDHQYZUEKQV-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
N-(2-formylbutyl)-N-methylacetamide
CID 12688089
N-methyl-N-(2-methyl-3-oxobutyl)acetamide
CID 130029247
3-[2-hydroxybutyl(methyl)amino]propanoic acid
CID 60986786
N-(3-hydroxy-2-methylpropyl)-N-methylacetamide
CID 126993696
butan-2-one;pentan-3-ol
CID 159181592
N-methyl-N-[(2S)-2-(methylamino)propyl]acetamide
CID 58006956
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
1-[2-hydroxybutyl(oxido)amino]butan-2-ol
CID 88520164
(2S)-1-[tert-butyl(methyl)amino]butan-2-ol
CID 131224547

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-N-methylacetamide;methane?
The IUPAC name of N-(2-hydroxybutyl)-N-methylacetamide;methane (CID 158717174) is N-(2-hydroxybutyl)-N-methylacetamide;methane.
What is the SMILES notation for N-(2-hydroxybutyl)-N-methylacetamide;methane?
The canonical SMILES for N-(2-hydroxybutyl)-N-methylacetamide;methane is C.CCC(O)CN(C)C(C)=O.
What is the InChIKey of N-(2-hydroxybutyl)-N-methylacetamide;methane?
The InChIKey is IJLLDHQYZUEKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.CH4/c1-4-7(10)5-8(3)6(2)9;/h7,10H,4-5H2,1-3H3;1H4.
What are the key properties of N-(2-hydroxybutyl)-N-methylacetamide;methane?
N-(2-hydroxybutyl)-N-methylacetamide;methane has a molecular weight of 161.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-N-methylacetamide;methane is sourced from PubChem (CID 158717174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).