N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide

C9H11NO3 — CID 162349141

IUPACN-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CO)c(O)c1
InChIInChI=1S/C9H11NO3/c1-6(12)10-8-3-2-7(5-11)9(13)4-8/h2-4,11,13H,5H2,1H3,(H,10,12)
InChIKeyPGRKZADMPODANF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.84
Rot. Bonds2

About N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide

N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide (PubChem CID 162349141) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
PubChem CID162349141
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CO)c(O)c1
InChIInChI=1S/C9H11NO3/c1-6(12)10-8-3-2-7(5-11)9(13)4-8/h2-4,11,13H,5H2,1H3,(H,10,12)
InChIKeyPGRKZADMPODANF-UHFFFAOYSA-N
XLogP0.84
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
CID 11735930
1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone
CID 90368486
3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
CID 52933836
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526
N-(4-ethyl-3-sulfanylphenyl)acetamide
CID 130011196
N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide
CID 67641008
N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
CID 141315401
N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878
N-[6-(hydroxymethyl)naphthalen-2-yl]acetamide
CID 71416086
4-(4-acetamido-2-hydroxyphenyl)-4-oxobutanoic acid
CID 14910077

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide (CID 162349141) is N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide is CC(=O)Nc1ccc(CO)c(O)c1.
What is the InChIKey of N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide?
The InChIKey is PGRKZADMPODANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(12)10-8-3-2-7(5-11)9(13)4-8/h2-4,11,13H,5H2,1H3,(H,10,12).
What are the key properties of N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide?
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 162349141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).