N-(3-hydroxy-4-propanoylphenyl)acetamide

C11H13NO3 — CID 586046

IUPACN-(3-hydroxy-4-propanoylphenyl)acetamide
SMILESCCC(=O)c1ccc(NC(C)=O)cc1O
InChIInChI=1S/C11H13NO3/c1-3-10(14)9-5-4-8(6-11(9)15)12-7(2)13/h4-6,15H,3H2,1-2H3,(H,12,13)
InChIKeyOWCNKWDTKTZBJL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.94
Rot. Bonds3

About N-(3-hydroxy-4-propanoylphenyl)acetamide

N-(3-hydroxy-4-propanoylphenyl)acetamide (PubChem CID 586046) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(3-hydroxy-4-propanoylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-propanoylphenyl)acetamide
PubChem CID586046
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(3-hydroxy-4-propanoylphenyl)acetamide
SMILESCCC(=O)c1ccc(NC(C)=O)cc1O
InChIInChI=1S/C11H13NO3/c1-3-10(14)9-5-4-8(6-11(9)15)12-7(2)13/h4-6,15H,3H2,1-2H3,(H,12,13)
InChIKeyOWCNKWDTKTZBJL-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-propanoylphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-4-propanoylphenyl)acetamide (CID 586046) is N-(3-hydroxy-4-propanoylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-propanoylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-propanoylphenyl)acetamide is CCC(=O)c1ccc(NC(C)=O)cc1O.
What is the InChIKey of N-(3-hydroxy-4-propanoylphenyl)acetamide?
The InChIKey is OWCNKWDTKTZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-10(14)9-5-4-8(6-11(9)15)12-7(2)13/h4-6,15H,3H2,1-2H3,(H,12,13).
What are the key properties of N-(3-hydroxy-4-propanoylphenyl)acetamide?
N-(3-hydroxy-4-propanoylphenyl)acetamide has a molecular weight of 207.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-propanoylphenyl)acetamide is sourced from PubChem (CID 586046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).