N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide

C10H13NO3 — CID 82469130

IUPACN-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CO
InChIInChI=1S/C10H13NO3/c1-7(13)11-9-3-4-10(14-2)8(5-9)6-12/h3-5,12H,6H2,1-2H3,(H,11,13)
InChIKeyDHESMPVAGIPKOJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.15
Rot. Bonds3

About N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide

N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide (PubChem CID 82469130) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
PubChem CID82469130
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CO
InChIInChI=1S/C10H13NO3/c1-7(13)11-9-3-4-10(14-2)8(5-9)6-12/h3-5,12H,6H2,1-2H3,(H,11,13)
InChIKeyDHESMPVAGIPKOJ-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 96661325
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 90275272
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110784111
N-[3-[2-(cyclopropylamino)propyl]-4-methoxyphenyl]acetamide
CID 112513577
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 110790393
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide (CID 82469130) is N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1CO.
What is the InChIKey of N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide?
The InChIKey is DHESMPVAGIPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(13)11-9-3-4-10(14-2)8(5-9)6-12/h3-5,12H,6H2,1-2H3,(H,11,13).
What are the key properties of N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide?
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide has a molecular weight of 195.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 82469130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).