2-ethyl-4-hydroxy-3,3-dimethylbutanamide

C8H17NO2 — CID 89123661

IUPAC2-ethyl-4-hydroxy-3,3-dimethylbutanamide
SMILESCCC(C(N)=O)C(C)(C)CO
InChIInChI=1S/C8H17NO2/c1-4-6(7(9)11)8(2,3)5-10/h6,10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyBYAVFKRLMDCPDJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.52
Rot. Bonds4

About 2-ethyl-4-hydroxy-3,3-dimethylbutanamide

2-ethyl-4-hydroxy-3,3-dimethylbutanamide (PubChem CID 89123661) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-3,3-dimethylbutanamide
PubChem CID89123661
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-ethyl-4-hydroxy-3,3-dimethylbutanamide
SMILESCCC(C(N)=O)C(C)(C)CO
InChIInChI=1S/C8H17NO2/c1-4-6(7(9)11)8(2,3)5-10/h6,10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyBYAVFKRLMDCPDJ-UHFFFAOYSA-N
XLogP0.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2,3,3-trimethylbutanamide
CID 55284516
(3-carbamoyl-2-phosphonopentan-2-yl)phosphonic acid
CID 22966765
2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide
CID 143920647
(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
CID 161039387
(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid;guanidine
CID 88797695
(2R)-2-hydroxy-3,3-dimethylpentanamide
CID 126746768
methyl 2-ethyl-3,3-dimethylpentanoate
CID 13113712
2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
CID 126606226
(3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol
CID 130714780
(2R)-2-tert-butylbutanediamide
CID 22864144
3-ethyl-2,2-dimethyl-4-oxopentanoic acid
CID 174469035
2-ethyl-3,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 20669294

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of 2-ethyl-4-hydroxy-3,3-dimethylbutanamide (CID 89123661) is 2-ethyl-4-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for 2-ethyl-4-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for 2-ethyl-4-hydroxy-3,3-dimethylbutanamide is CCC(C(N)=O)C(C)(C)CO.
What is the InChIKey of 2-ethyl-4-hydroxy-3,3-dimethylbutanamide?
The InChIKey is BYAVFKRLMDCPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6(7(9)11)8(2,3)5-10/h6,10H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 2-ethyl-4-hydroxy-3,3-dimethylbutanamide?
2-ethyl-4-hydroxy-3,3-dimethylbutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 89123661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).