4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide

C11H23NO3 — CID 138701587

IUPAC4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide
SMILESCC(CC(C)(C)C)OCC(O)CC(N)=O
InChIInChI=1S/C11H23NO3/c1-8(6-11(2,3)4)15-7-9(13)5-10(12)14/h8-9,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyNEGOFQZCZLZXFC-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.06
Rot. Bonds6

About 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide

4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide (PubChem CID 138701587) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide.

Molecular Properties

Compound Name4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide
PubChem CID138701587
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide
SMILESCC(CC(C)(C)C)OCC(O)CC(N)=O
InChIInChI=1S/C11H23NO3/c1-8(6-11(2,3)4)15-7-9(13)5-10(12)14/h8-9,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyNEGOFQZCZLZXFC-UHFFFAOYSA-N
XLogP1.06
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropoxy)butanamide
CID 137379799
[2-hydroxy-3-[(3R)-3,5,5-trimethylhexanoyl]oxypropyl] (3R)-3,5,5-trimethylhexanoate
CID 93484834
2-(2,2-dimethylpropyl)butanediamide
CID 88719248
3-hydroxy-4-propoxybutanamide
CID 169324241
(3R)-3-acetyl-5,5-dimethylhexanamide
CID 142089595
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732
(2-amino-3,5,5-trimethylhexyl) carbamate
CID 174805404
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid
CID 106991570
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
3-hydroxypentanamide;hydrochloride
CID 174591125

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide?
The IUPAC name of 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide (CID 138701587) is 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide.
What is the SMILES notation for 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide?
The canonical SMILES for 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide is CC(CC(C)(C)C)OCC(O)CC(N)=O.
What is the InChIKey of 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide?
The InChIKey is NEGOFQZCZLZXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(6-11(2,3)4)15-7-9(13)5-10(12)14/h8-9,13H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide?
4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide has a molecular weight of 217.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide is sourced from PubChem (CID 138701587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).