N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide

C12H23NO3 — CID 145453252

IUPACN-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide
SMILESCCC(O)(CC)C(=O)N(C(C)=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-7-12(16,8-2)10(15)13(9(3)14)11(4,5)6/h16H,7-8H2,1-6H3
InChIKeyXBHHIDUFQNMACO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.71
Rot. Bonds3

About N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide

N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide (PubChem CID 145453252) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide.

Molecular Properties

Compound NameN-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide
PubChem CID145453252
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide
SMILESCCC(O)(CC)C(=O)N(C(C)=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-7-12(16,8-2)10(15)13(9(3)14)11(4,5)6/h16H,7-8H2,1-6H3
InChIKeyXBHHIDUFQNMACO-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide
CID 126481628
N-acetyl-N-(3-methylhexan-3-yl)acetamide
CID 89349857
(4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione
CID 163696091
bis(2-ethyl-2-hydroxybutanoic acid);oxochromium
CID 10991103
N-but-2-en-2-yl-N,2,2-trimethylbutanamide
CID 123139486
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223
N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
CID 89417425
[(2-ethyl-2-hydroxybutanoyl)amino] acetate
CID 141014595
N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide
CID 139314367
butane;propane-2,2-diol
CID 142587058
2-(fluoromethyl)-2-hydroxybutanoic acid
CID 22639794

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide?
The IUPAC name of N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide (CID 145453252) is N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide.
What is the SMILES notation for N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide?
The canonical SMILES for N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide is CCC(O)(CC)C(=O)N(C(C)=O)C(C)(C)C.
What is the InChIKey of N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide?
The InChIKey is XBHHIDUFQNMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-7-12(16,8-2)10(15)13(9(3)14)11(4,5)6/h16H,7-8H2,1-6H3.
What are the key properties of N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide?
N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide is sourced from PubChem (CID 145453252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).