N-(3-hydroxybutan-2-yl)acetamide

C6H13NO2 — CID 19845146

IUPACN-(3-hydroxybutan-2-yl)acetamide
SMILESCC(=O)NC(C)C(C)O
InChIInChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)
InChIKeyZCGNIFXXTKDQRT-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.11
Rot. Bonds2

About N-(3-hydroxybutan-2-yl)acetamide

N-(3-hydroxybutan-2-yl)acetamide (PubChem CID 19845146) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-(3-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxybutan-2-yl)acetamide
PubChem CID19845146
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-(3-hydroxybutan-2-yl)acetamide
SMILESCC(=O)NC(C)C(C)O
InChIInChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)
InChIKeyZCGNIFXXTKDQRT-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutan-2-yl)acetamide?
The IUPAC name of N-(3-hydroxybutan-2-yl)acetamide (CID 19845146) is N-(3-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxybutan-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxybutan-2-yl)acetamide is CC(=O)NC(C)C(C)O.
What is the InChIKey of N-(3-hydroxybutan-2-yl)acetamide?
The InChIKey is ZCGNIFXXTKDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9).
What are the key properties of N-(3-hydroxybutan-2-yl)acetamide?
N-(3-hydroxybutan-2-yl)acetamide has a molecular weight of 131.17 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 19845146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).