2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide

C17H25NO3 — CID 115362312

IUPAC2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESCCc1ccc(OCC(=O)NCC2(CO)CCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-2-14-5-7-15(8-6-14)21-11-16(20)18-12-17(13-19)9-3-4-10-17/h5-8,19H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyZFBRAIADOHGYIK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.30
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide

2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide (PubChem CID 115362312) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
PubChem CID115362312
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESCCc1ccc(OCC(=O)NCC2(CO)CCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-2-14-5-7-15(8-6-14)21-11-16(20)18-12-17(13-19)9-3-4-10-17/h5-8,19H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyZFBRAIADOHGYIK-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 114751227
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065749
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide (CID 115362312) is 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide is CCc1ccc(OCC(=O)NCC2(CO)CCCC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The InChIKey is ZFBRAIADOHGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-14-5-7-15(8-6-14)21-11-16(20)18-12-17(13-19)9-3-4-10-17/h5-8,19H,2-4,9-13H2,1H3,(H,18,20).
What are the key properties of 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 115362312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).