N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide

C10H13NO3 — CID 89189876

IUPACN-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)c(O)c1
InChIInChI=1S/C10H13NO3/c1-7(12)11-6-8-3-4-9(14-2)5-10(8)13/h3-5,13H,6H2,1-2H3,(H,11,12)
InChIKeyJUHOQBCADDXSOH-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.04
Rot. Bonds3

About N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide

N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide (PubChem CID 89189876) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
PubChem CID89189876
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)c(O)c1
InChIInChI=1S/C10H13NO3/c1-7(12)11-6-8-3-4-9(14-2)5-10(8)13/h3-5,13H,6H2,1-2H3,(H,11,12)
InChIKeyJUHOQBCADDXSOH-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxy-4-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 20993607
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
(2S)-N'-[(2-hydroxy-4-methoxyphenyl)methyl]-2-methylbutanediamide
CID 173193675
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
CID 112688384
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67559134

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide (CID 89189876) is N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(C)=O)c(O)c1.
What is the InChIKey of N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide?
The InChIKey is JUHOQBCADDXSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(12)11-6-8-3-4-9(14-2)5-10(8)13/h3-5,13H,6H2,1-2H3,(H,11,12).
What are the key properties of N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide?
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide has a molecular weight of 195.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 89189876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).