N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide

C11H13NO4 — CID 121366040

IUPACN-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide
SMILESCOc1cc(O)c(C(C)=O)cc1NC(C)=O
InChIInChI=1S/C11H13NO4/c1-6(13)8-4-9(12-7(2)14)11(16-3)5-10(8)15/h4-5,15H,1-3H3,(H,12,14)
InChIKeyAGLAVPKSXZOHOA-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.56
Rot. Bonds3

About N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide

N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide (PubChem CID 121366040) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide
PubChem CID121366040
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide
SMILESCOc1cc(O)c(C(C)=O)cc1NC(C)=O
InChIInChI=1S/C11H13NO4/c1-6(13)8-4-9(12-7(2)14)11(16-3)5-10(8)15/h4-5,15H,1-3H3,(H,12,14)
InChIKeyAGLAVPKSXZOHOA-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea
CID 162371292
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
5-acetamido-2-chloro-4-methoxybenzoic acid
CID 112757038
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310
2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide
CID 91138680
(2-acetamido-4,5-dimethoxyphenyl) acetate
CID 102408596
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
4-acetamido-2,5-dimethoxybenzenesulfinic acid
CID 102438502
N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
CID 4112051
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide?
The IUPAC name of N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide (CID 121366040) is N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide is COc1cc(O)c(C(C)=O)cc1NC(C)=O.
What is the InChIKey of N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide?
The InChIKey is AGLAVPKSXZOHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6(13)8-4-9(12-7(2)14)11(16-3)5-10(8)15/h4-5,15H,1-3H3,(H,12,14).
What are the key properties of N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide?
N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide has a molecular weight of 223.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide is sourced from PubChem (CID 121366040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).