2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide

C16H20N2O3 — CID 7993285

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O3/c1-2-20-15-9-12(10-17)7-8-14(15)21-11-16(19)18-13-5-3-4-6-13/h7-9,13H,2-6,11H2,1H3,(H,18,19)
InChIKeyUMTREVOLMHKIGV-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.39
Rot. Bonds6

About 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide

2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide (PubChem CID 7993285) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
PubChem CID7993285
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O3/c1-2-20-15-9-12(10-17)7-8-14(15)21-11-16(19)18-13-5-3-4-6-13/h7-9,13H,2-6,11H2,1H3,(H,18,19)
InChIKeyUMTREVOLMHKIGV-UHFFFAOYSA-N
XLogP2.39
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7992960
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7993066
2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide
CID 115467773
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 95164217
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-ethoxybenzonitrile
CID 11901086
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914832
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide
CID 168586161
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide
CID 27006212
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide (CID 7993285) is 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide is CCOc1cc(C#N)ccc1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide?
The InChIKey is UMTREVOLMHKIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-20-15-9-12(10-17)7-8-14(15)21-11-16(19)18-13-5-3-4-6-13/h7-9,13H,2-6,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide has a molecular weight of 288.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide is sourced from PubChem (CID 7993285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).