N-(2-ethylhexyl)-2-hydroxybutanamide

C12H25NO2 — CID 57170981

IUPACN-(2-ethylhexyl)-2-hydroxybutanamide
SMILESCCCCC(CC)CNC(=O)C(O)CC
InChIInChI=1S/C12H25NO2/c1-4-7-8-10(5-2)9-13-12(15)11(14)6-3/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyYBOHBUZHURJWPZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds8

About N-(2-ethylhexyl)-2-hydroxybutanamide

N-(2-ethylhexyl)-2-hydroxybutanamide (PubChem CID 57170981) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-hydroxybutanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-hydroxybutanamide
PubChem CID57170981
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-ethylhexyl)-2-hydroxybutanamide
SMILESCCCCC(CC)CNC(=O)C(O)CC
InChIInChI=1S/C12H25NO2/c1-4-7-8-10(5-2)9-13-12(15)11(14)6-3/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyYBOHBUZHURJWPZ-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-hydroxybutanamide?
The IUPAC name of N-(2-ethylhexyl)-2-hydroxybutanamide (CID 57170981) is N-(2-ethylhexyl)-2-hydroxybutanamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-hydroxybutanamide?
The canonical SMILES for N-(2-ethylhexyl)-2-hydroxybutanamide is CCCCC(CC)CNC(=O)C(O)CC.
What is the InChIKey of N-(2-ethylhexyl)-2-hydroxybutanamide?
The InChIKey is YBOHBUZHURJWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-8-10(5-2)9-13-12(15)11(14)6-3/h10-11,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-(2-ethylhexyl)-2-hydroxybutanamide?
N-(2-ethylhexyl)-2-hydroxybutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-hydroxybutanamide is sourced from PubChem (CID 57170981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).