2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide

C16H23NO3 — CID 62517015

IUPAC2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NC1(CO)CCCC1
InChIInChI=1S/C16H23NO3/c1-12-6-5-7-13(2)15(12)20-10-14(19)17-16(11-18)8-3-4-9-16/h5-7,18H,3-4,8-11H2,1-2H3,(H,17,19)
InChIKeyLYSVKFNOHUVRMH-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.10
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide

2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 62517015) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID62517015
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NC1(CO)CCCC1
InChIInChI=1S/C16H23NO3/c1-12-6-5-7-13(2)15(12)20-10-14(19)17-16(11-18)8-3-4-9-16/h5-7,18H,3-4,8-11H2,1-2H3,(H,17,19)
InChIKeyLYSVKFNOHUVRMH-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 115878097
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
N-[1-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119567203
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528080
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
N-[1-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119567192
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541823
2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide (CID 62517015) is 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide is Cc1cccc(C)c1OCC(=O)NC1(CO)CCCC1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is LYSVKFNOHUVRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-6-5-7-13(2)15(12)20-10-14(19)17-16(11-18)8-3-4-9-16/h5-7,18H,3-4,8-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 62517015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).