2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide

C16H20N2O2 — CID 115880584

IUPAC2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
SMILESCC1(C)CCC(NC(=O)COc2ccccc2C#N)C1
InChIInChI=1S/C16H20N2O2/c1-16(2)8-7-13(9-16)18-15(19)11-20-14-6-4-3-5-12(14)10-17/h3-6,13H,7-9,11H2,1-2H3,(H,18,19)
InChIKeyKTKAMJXEUCQSQU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.63
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide

2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide (PubChem CID 115880584) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
PubChem CID115880584
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
SMILESCC1(C)CCC(NC(=O)COc2ccccc2C#N)C1
InChIInChI=1S/C16H20N2O2/c1-16(2)8-7-13(9-16)18-15(19)11-20-14-6-4-3-5-12(14)10-17/h3-6,13H,7-9,11H2,1-2H3,(H,18,19)
InChIKeyKTKAMJXEUCQSQU-UHFFFAOYSA-N
XLogP2.63
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-2-(2-fluorophenoxy)acetamide
CID 115880485
2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761
2-(2-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
CID 102610563
2-(2-cyanophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 62897007
2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide
CID 115674794
N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
CID 115880765
2-(2-cyanophenoxy)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138707
2-(2-cyanophenoxy)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737425
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
N-(3,3-dimethylcyclopentyl)-2-(4-ethylphenoxy)acetamide
CID 115880657
tert-butyl (3S)-3-[[2-(2-cyanophenoxy)acetyl]amino]pyrrolidine-1-carboxylate
CID 96510525

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide (CID 115880584) is 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide is CC1(C)CCC(NC(=O)COc2ccccc2C#N)C1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide?
The InChIKey is KTKAMJXEUCQSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2)8-7-13(9-16)18-15(19)11-20-14-6-4-3-5-12(14)10-17/h3-6,13H,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide?
2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide is sourced from PubChem (CID 115880584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).