2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

C17H25NO2 — CID 103798521

IUPAC2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C17H25NO2/c1-12-7-8-13(2)15(9-12)10-17(20)18-16-6-4-3-5-14(16)11-19/h7-9,14,16,19H,3-6,10-11H2,1-2H3,(H,18,20)
InChIKeyCGQNQABWOBVKQG-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.51
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 103798521) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID103798521
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C17H25NO2/c1-12-7-8-13(2)15(9-12)10-17(20)18-16-6-4-3-5-14(16)11-19/h7-9,14,16,19H,3-6,10-11H2,1-2H3,(H,18,20)
InChIKeyCGQNQABWOBVKQG-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546
N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
CID 103860366
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 114307113
(E)-3-(2,4-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860372
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (CID 103798521) is 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is Cc1ccc(C)c(CC(=O)NC2CCCCC2CO)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is CGQNQABWOBVKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-7-8-13(2)15(9-12)10-17(20)18-16-6-4-3-5-14(16)11-19/h7-9,14,16,19H,3-6,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 275.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 103798521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).