N-(4-hydroxybutan-2-yl)acetamide

C6H13NO2 — CID 20609978

IUPACN-(4-hydroxybutan-2-yl)acetamide
SMILESCC(=O)NC(C)CCO
InChIInChI=1S/C6H13NO2/c1-5(3-4-8)7-6(2)9/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyJYRFJHIDGHVXOF-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.11
Rot. Bonds3

About N-(4-hydroxybutan-2-yl)acetamide

N-(4-hydroxybutan-2-yl)acetamide (PubChem CID 20609978) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)acetamide
PubChem CID20609978
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(4-hydroxybutan-2-yl)acetamide
SMILESCC(=O)NC(C)CCO
InChIInChI=1S/C6H13NO2/c1-5(3-4-8)7-6(2)9/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyJYRFJHIDGHVXOF-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromobutan-2-yl)acetamide
CID 83179388
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
N-(3-acetamidobutyl)acetamide
CID 118918333
N-hexan-2-ylacetamide;methane
CID 161054772
N-[(2R)-1-(methylamino)propan-2-yl]acetamide
CID 88935703
N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen
CID 153349361
N-[5-(dimethylamino)hexan-2-yl]acetamide
CID 59721263
propan-2-yl (2S)-2-acetamido-4-hydroxybutanoate
CID 87894989
N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide
CID 115283404
N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
CID 121358022
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)acetamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)acetamide (CID 20609978) is N-(4-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)acetamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)acetamide is CC(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)acetamide?
The InChIKey is JYRFJHIDGHVXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(3-4-8)7-6(2)9/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-(4-hydroxybutan-2-yl)acetamide?
N-(4-hydroxybutan-2-yl)acetamide has a molecular weight of 131.18 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 20609978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).