2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide

C14H18N2O2 — CID 7503246

IUPAC2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-3-4-11(2)16-14(17)10-18-13-7-5-12(9-15)6-8-13/h5-8,11H,3-4,10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyUJXISZVIWLFAJI-LLVKDONJSA-N
MW246.31 g/mol
LogP2.24
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide

2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 7503246) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
PubChem CID7503246
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-3-4-11(2)16-14(17)10-18-13-7-5-12(9-15)6-8-13/h5-8,11H,3-4,10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyUJXISZVIWLFAJI-LLVKDONJSA-N
XLogP2.24
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
CID 115661987
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115662181
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217343
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-[[2-(4-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43091829
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 7382360
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide (CID 7503246) is 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is UJXISZVIWLFAJI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-11(2)16-14(17)10-18-13-7-5-12(9-15)6-8-13/h5-8,11H,3-4,10H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide?
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 7503246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).