(2R)-3-(4-cyanophenoxy)-2-methylpropanamide

C11H12N2O2 — CID 70943065

IUPAC(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
SMILESC[C@H](COc1ccc(C#N)cc1)C(N)=O
InChIInChI=1S/C11H12N2O2/c1-8(11(13)14)7-15-10-4-2-9(6-12)3-5-10/h2-5,8H,7H2,1H3,(H2,13,14)/t8-/m1/s1
InChIKeyHJZJITFPESRTOU-MRVPVSSYSA-N
MW204.23 g/mol
LogP1.06
Rot. Bonds4

About (2R)-3-(4-cyanophenoxy)-2-methylpropanamide

(2R)-3-(4-cyanophenoxy)-2-methylpropanamide (PubChem CID 70943065) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R)-3-(4-cyanophenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
PubChem CID70943065
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
SMILESC[C@H](COc1ccc(C#N)cc1)C(N)=O
InChIInChI=1S/C11H12N2O2/c1-8(11(13)14)7-15-10-4-2-9(6-12)3-5-10/h2-5,8H,7H2,1H3,(H2,13,14)/t8-/m1/s1
InChIKeyHJZJITFPESRTOU-MRVPVSSYSA-N
XLogP1.06
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyanophenoxy)-2-methylpropanamide
CID 43312194
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
tris[3-[4-(4-cyanophenyl)phenoxy]-2-methylpropyl] benzene-1,3,5-tricarboxylate
CID 102025560
2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
CID 43311938
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide
CID 18972800
(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 69173053
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
(4-cyanophenyl) 4-(2-methylbutoxy)benzoate
CID 605615
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43311925

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-cyanophenoxy)-2-methylpropanamide?
The IUPAC name of (2R)-3-(4-cyanophenoxy)-2-methylpropanamide (CID 70943065) is (2R)-3-(4-cyanophenoxy)-2-methylpropanamide.
What is the SMILES notation for (2R)-3-(4-cyanophenoxy)-2-methylpropanamide?
The canonical SMILES for (2R)-3-(4-cyanophenoxy)-2-methylpropanamide is C[C@H](COc1ccc(C#N)cc1)C(N)=O.
What is the InChIKey of (2R)-3-(4-cyanophenoxy)-2-methylpropanamide?
The InChIKey is HJZJITFPESRTOU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(11(13)14)7-15-10-4-2-9(6-12)3-5-10/h2-5,8H,7H2,1H3,(H2,13,14)/t8-/m1/s1.
What are the key properties of (2R)-3-(4-cyanophenoxy)-2-methylpropanamide?
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide has a molecular weight of 204.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-cyanophenoxy)-2-methylpropanamide is sourced from PubChem (CID 70943065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).