N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide

C10H19NO4 — CID 134215836

IUPACN-acetyl-4-butan-2-yloxy-3-hydroxybutanamide
SMILESCCC(C)OCC(O)CC(=O)NC(C)=O
InChIInChI=1S/C10H19NO4/c1-4-7(2)15-6-9(13)5-10(14)11-8(3)12/h7,9,13H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyXEALFPQUFWIMSQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.22
Rot. Bonds6

About N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide

N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide (PubChem CID 134215836) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide.

Molecular Properties

Compound NameN-acetyl-4-butan-2-yloxy-3-hydroxybutanamide
PubChem CID134215836
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-acetyl-4-butan-2-yloxy-3-hydroxybutanamide
SMILESCCC(C)OCC(O)CC(=O)NC(C)=O
InChIInChI=1S/C10H19NO4/c1-4-7(2)15-6-9(13)5-10(14)11-8(3)12/h7,9,13H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyXEALFPQUFWIMSQ-UHFFFAOYSA-N
XLogP0.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide?
The IUPAC name of N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide (CID 134215836) is N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide.
What is the SMILES notation for N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide?
The canonical SMILES for N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide is CCC(C)OCC(O)CC(=O)NC(C)=O.
What is the InChIKey of N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide?
The InChIKey is XEALFPQUFWIMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-7(2)15-6-9(13)5-10(14)11-8(3)12/h7,9,13H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide?
N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide has a molecular weight of 217.26 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-butan-2-yloxy-3-hydroxybutanamide is sourced from PubChem (CID 134215836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).