N-ethyl-N-hydroxy-3,3-dimethylbutanamide

C8H17NO2 — CID 123423819

IUPACN-ethyl-N-hydroxy-3,3-dimethylbutanamide
SMILESCCN(O)C(=O)CC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-9(11)7(10)6-8(2,3)4/h11H,5-6H2,1-4H3
InChIKeyJTKNOMDGWUHMJU-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.66
Rot. Bonds2

About N-ethyl-N-hydroxy-3,3-dimethylbutanamide

N-ethyl-N-hydroxy-3,3-dimethylbutanamide (PubChem CID 123423819) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-ethyl-N-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-hydroxy-3,3-dimethylbutanamide
PubChem CID123423819
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-ethyl-N-hydroxy-3,3-dimethylbutanamide
SMILESCCN(O)C(=O)CC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-9(11)7(10)6-8(2,3)4/h11H,5-6H2,1-4H3
InChIKeyJTKNOMDGWUHMJU-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N,3,3-trimethylbutanamide
CID 89107590
N-ethyl-N-hydroxy-10,10-dimethylundecanamide
CID 18991193
N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
CID 89417425
N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide
CID 58033935
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide
CID 79116038
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
N-cyano-N,3,3-trimethylbutanamide
CID 130684370
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
CID 18736157
ethyl 3,3-dimethylbutanoate;methane
CID 167622566
N-(4,4-dimethylpentyl)-N-hydroxypropanamide
CID 130258071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-ethyl-N-hydroxy-3,3-dimethylbutanamide (CID 123423819) is N-ethyl-N-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-ethyl-N-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-ethyl-N-hydroxy-3,3-dimethylbutanamide is CCN(O)C(=O)CC(C)(C)C.
What is the InChIKey of N-ethyl-N-hydroxy-3,3-dimethylbutanamide?
The InChIKey is JTKNOMDGWUHMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-9(11)7(10)6-8(2,3)4/h11H,5-6H2,1-4H3.
What are the key properties of N-ethyl-N-hydroxy-3,3-dimethylbutanamide?
N-ethyl-N-hydroxy-3,3-dimethylbutanamide has a molecular weight of 159.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 123423819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).