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

C9H11NO3 — CID 3080594

IUPACN-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(NC(C)=O)ccc1O
InChIInChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
InChIKeyKIZWIAQUWRXFNC-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.36
Rot. Bonds2

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

N-(4-hydroxy-3-methoxyphenyl)acetamide (PubChem CID 3080594) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(4-hydroxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methoxyphenyl)acetamide
PubChem CID3080594
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(NC(C)=O)ccc1O
InChIInChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
InChIKeyKIZWIAQUWRXFNC-UHFFFAOYSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methoxyphenyl)acetamide?
The IUPAC name of N-(4-hydroxy-3-methoxyphenyl)acetamide (CID 3080594) is N-(4-hydroxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-hydroxy-3-methoxyphenyl)acetamide is COc1cc(NC(C)=O)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methoxyphenyl)acetamide?
The InChIKey is KIZWIAQUWRXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11).
What are the key properties of N-(4-hydroxy-3-methoxyphenyl)acetamide?
N-(4-hydroxy-3-methoxyphenyl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 3080594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).