N-tert-butyl-2-(2-cyanophenoxy)acetamide

C13H16N2O2 — CID 2565352

IUPACN-tert-butyl-2-(2-cyanophenoxy)acetamide
SMILESCC(C)(C)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C13H16N2O2/c1-13(2,3)15-12(16)9-17-11-7-5-4-6-10(11)8-14/h4-7H,9H2,1-3H3,(H,15,16)
InChIKeyRNCLSDUIYZCXFK-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.85
Rot. Bonds3

About N-tert-butyl-2-(2-cyanophenoxy)acetamide

N-tert-butyl-2-(2-cyanophenoxy)acetamide (PubChem CID 2565352) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyanophenoxy)acetamide
PubChem CID2565352
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-tert-butyl-2-(2-cyanophenoxy)acetamide
SMILESCC(C)(C)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C13H16N2O2/c1-13(2,3)15-12(16)9-17-11-7-5-4-6-10(11)8-14/h4-7H,9H2,1-3H3,(H,15,16)
InChIKeyRNCLSDUIYZCXFK-UHFFFAOYSA-N
XLogP1.85
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945669
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343426
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 4850375
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(2-cyanophenoxy)acetamide (CID 2565352) is N-tert-butyl-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-cyanophenoxy)acetamide is CC(C)(C)NC(=O)COc1ccccc1C#N.
What is the InChIKey of N-tert-butyl-2-(2-cyanophenoxy)acetamide?
The InChIKey is RNCLSDUIYZCXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)15-12(16)9-17-11-7-5-4-6-10(11)8-14/h4-7H,9H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(2-cyanophenoxy)acetamide?
N-tert-butyl-2-(2-cyanophenoxy)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 2565352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).