N-(4-hydroxyphenyl)acetamide;dihydrate

C8H13NO4 — CID 140999210

IUPACN-(4-hydroxyphenyl)acetamide;dihydrate
SMILESCC(=O)Nc1ccc(O)cc1.O.O
InChIInChI=1S/C8H9NO2.2H2O/c1-6(10)9-7-2-4-8(11)5-3-7;;/h2-5,11H,1H3,(H,9,10);2*1H2
InChIKeyCWHGYLGCKHZVHG-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.30
Rot. Bonds1

About N-(4-hydroxyphenyl)acetamide;dihydrate

N-(4-hydroxyphenyl)acetamide;dihydrate (PubChem CID 140999210) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)acetamide;dihydrate.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)acetamide;dihydrate
PubChem CID140999210
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameN-(4-hydroxyphenyl)acetamide;dihydrate
SMILESCC(=O)Nc1ccc(O)cc1.O.O
InChIInChI=1S/C8H9NO2.2H2O/c1-6(10)9-7-2-4-8(11)5-3-7;;/h2-5,11H,1H3,(H,9,10);2*1H2
InChIKeyCWHGYLGCKHZVHG-UHFFFAOYSA-N
XLogP-0.30
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
N-(4-hydroxyphenyl)acetamide;piperazine
CID 67107882
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099
bis(N-(4-hydroxyphenyl)acetamide);morpholine
CID 86210685
N-(4-methylphenyl)acetamide
CID 7684
N-[4-(3,5-dihydroxyanilino)phenyl]acetamide
CID 139679971
N-(4-iodophenyl)acetamide
CID 12147
N-phenylacetamide
CID 101272191

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)acetamide;dihydrate?
The IUPAC name of N-(4-hydroxyphenyl)acetamide;dihydrate (CID 140999210) is N-(4-hydroxyphenyl)acetamide;dihydrate.
What is the SMILES notation for N-(4-hydroxyphenyl)acetamide;dihydrate?
The canonical SMILES for N-(4-hydroxyphenyl)acetamide;dihydrate is CC(=O)Nc1ccc(O)cc1.O.O.
What is the InChIKey of N-(4-hydroxyphenyl)acetamide;dihydrate?
The InChIKey is CWHGYLGCKHZVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.2H2O/c1-6(10)9-7-2-4-8(11)5-3-7;;/h2-5,11H,1H3,(H,9,10);2*1H2.
What are the key properties of N-(4-hydroxyphenyl)acetamide;dihydrate?
N-(4-hydroxyphenyl)acetamide;dihydrate has a molecular weight of 187.19 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)acetamide;dihydrate is sourced from PubChem (CID 140999210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).