2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide

C14H18N2O2 — CID 2706739

IUPAC2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C14H18N2O2/c1-10(2)11(3)16-14(17)9-18-13-7-5-4-6-12(13)8-15/h4-7,10-11H,9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyMNZJEKHBOVCUKD-LLVKDONJSA-N
MW246.31 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide

2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 2706739) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID2706739
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C14H18N2O2/c1-10(2)11(3)16-14(17)9-18-13-7-5-4-6-12(13)8-15/h4-7,10-11H,9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyMNZJEKHBOVCUKD-LLVKDONJSA-N
XLogP2.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105
2-(2-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937600
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2-cyanophenoxy)-N-(1-ethoxypropan-2-yl)acetamide
CID 47903365
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 2706739) is 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is MNZJEKHBOVCUKD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)11(3)16-14(17)9-18-13-7-5-4-6-12(13)8-15/h4-7,10-11H,9H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 2706739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).