N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide

C11H23NO2 — CID 111695856

IUPACN-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CCC(C)O
InChIInChI=1S/C11H23NO2/c1-6-11(3,4)10(14)12(5)8-7-9(2)13/h9,13H,6-8H2,1-5H3
InChIKeyBESIFGCXEQYYNG-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.65
Rot. Bonds5

About N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide

N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide (PubChem CID 111695856) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
PubChem CID111695856
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CCC(C)O
InChIInChI=1S/C11H23NO2/c1-6-11(3,4)10(14)12(5)8-7-9(2)13/h9,13H,6-8H2,1-5H3
InChIKeyBESIFGCXEQYYNG-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
CID 107202384
N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
CID 20588097
N-(methoxymethyl)-N,2,2-trimethylbutanamide
CID 58226288
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
2-ethoxy-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695628
4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 115691786
3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide
CID 113499567
2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide
CID 55208122
[2,2-dimethylbutanoyl(methyl)amino]methyl-[4-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]-2-oxobutyl]-dimethylazanium trichloride
CID 158675039
N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115691770

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide (CID 111695856) is N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide?
The InChIKey is BESIFGCXEQYYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-11(3,4)10(14)12(5)8-7-9(2)13/h9,13H,6-8H2,1-5H3.
What are the key properties of N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide?
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 111695856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).