N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide

C12H25NO2 — CID 58033935

IUPACN-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide
SMILESCCN(C(=O)CC(C)(C)CO)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-13(11(2,3)4)10(15)8-12(5,6)9-14/h14H,7-9H2,1-6H3
InChIKeyISCCISCGPYNQID-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.04
Rot. Bonds4

About N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide

N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide (PubChem CID 58033935) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide
PubChem CID58033935
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide
SMILESCCN(C(=O)CC(C)(C)CO)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-13(11(2,3)4)10(15)8-12(5,6)9-14/h14H,7-9H2,1-6H3
InChIKeyISCCISCGPYNQID-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82183887
N-ethyl-N-hydroxy-3,3-dimethylbutanamide
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N,N,3,3-tetramethylpentanamide
CID 23394541
4-[3-[tert-butyl(ethyl)amino]-3-oxopropyl]benzoic acid
CID 82071551
N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide
CID 39074949
N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 89228630
ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 145483087
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
CID 87364467
CID 87364467
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide
CID 122239622

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide (CID 58033935) is N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide is CCN(C(=O)CC(C)(C)CO)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide?
The InChIKey is ISCCISCGPYNQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-13(11(2,3)4)10(15)8-12(5,6)9-14/h14H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide?
N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 58033935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).