N-[2-(hydroxymethyl)-3-methylphenyl]acetamide

C10H13NO2 — CID 14368464

IUPACN-[2-(hydroxymethyl)-3-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(C)c1CO
InChIInChI=1S/C10H13NO2/c1-7-4-3-5-10(9(7)6-12)11-8(2)13/h3-5,12H,6H2,1-2H3,(H,11,13)
InChIKeyYLYMHAYBANWGMO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.45
Rot. Bonds2

About N-[2-(hydroxymethyl)-3-methylphenyl]acetamide

N-[2-(hydroxymethyl)-3-methylphenyl]acetamide (PubChem CID 14368464) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-methylphenyl]acetamide
PubChem CID14368464
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[2-(hydroxymethyl)-3-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(C)c1CO
InChIInChI=1S/C10H13NO2/c1-7-4-3-5-10(9(7)6-12)11-8(2)13/h3-5,12H,6H2,1-2H3,(H,11,13)
InChIKeyYLYMHAYBANWGMO-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide
CID 130718807
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
acetic acid;(2,6-dimethylphenyl)methanol
CID 71387321
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
2-acetamido-6-methylbenzoic acid
CID 2801400
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
N-(3-chloro-2-ethylphenyl)acetamide
CID 67890650
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414
2-(hydroxymethyl)-3-methylphenol
CID 10997099
N-[2-[2-(aminomethyl)-6-methylphenoxy]phenyl]acetamide
CID 107105915

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-methylphenyl]acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-methylphenyl]acetamide (CID 14368464) is N-[2-(hydroxymethyl)-3-methylphenyl]acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-methylphenyl]acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-methylphenyl]acetamide is CC(=O)Nc1cccc(C)c1CO.
What is the InChIKey of N-[2-(hydroxymethyl)-3-methylphenyl]acetamide?
The InChIKey is YLYMHAYBANWGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-3-5-10(9(7)6-12)11-8(2)13/h3-5,12H,6H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(hydroxymethyl)-3-methylphenyl]acetamide?
N-[2-(hydroxymethyl)-3-methylphenyl]acetamide has a molecular weight of 179.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-methylphenyl]acetamide is sourced from PubChem (CID 14368464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).