ethane;4-hydroxy-3-methylbutanamide

C7H17NO2 — CID 170602711

IUPACethane;4-hydroxy-3-methylbutanamide
SMILESCC.CC(CO)CC(N)=O
InChIInChI=1S/C5H11NO2.C2H6/c1-4(3-7)2-5(6)8;1-2/h4,7H,2-3H2,1H3,(H2,6,8);1-2H3
InChIKeyJXBKTVCZUCKPRE-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.52
Rot. Bonds3

About ethane;4-hydroxy-3-methylbutanamide

ethane;4-hydroxy-3-methylbutanamide (PubChem CID 170602711) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is ethane;4-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Nameethane;4-hydroxy-3-methylbutanamide
PubChem CID170602711
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Nameethane;4-hydroxy-3-methylbutanamide
SMILESCC.CC(CO)CC(N)=O
InChIInChI=1S/C5H11NO2.C2H6/c1-4(3-7)2-5(6)8;1-2/h4,7H,2-3H2,1H3,(H2,6,8);1-2H3
InChIKeyJXBKTVCZUCKPRE-UHFFFAOYSA-N
XLogP0.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-3-methylbutanamide?
The IUPAC name of ethane;4-hydroxy-3-methylbutanamide (CID 170602711) is ethane;4-hydroxy-3-methylbutanamide.
What is the SMILES notation for ethane;4-hydroxy-3-methylbutanamide?
The canonical SMILES for ethane;4-hydroxy-3-methylbutanamide is CC.CC(CO)CC(N)=O.
What is the InChIKey of ethane;4-hydroxy-3-methylbutanamide?
The InChIKey is JXBKTVCZUCKPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C2H6/c1-4(3-7)2-5(6)8;1-2/h4,7H,2-3H2,1H3,(H2,6,8);1-2H3.
What are the key properties of ethane;4-hydroxy-3-methylbutanamide?
ethane;4-hydroxy-3-methylbutanamide has a molecular weight of 147.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-3-methylbutanamide is sourced from PubChem (CID 170602711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).