2-(3-cyanophenoxy)-N-methylpropanamide

C11H12N2O2 — CID 43085589

IUPAC2-(3-cyanophenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-8(11(14)13-2)15-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKeyWFRMVCVQQJAGKO-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds3

About 2-(3-cyanophenoxy)-N-methylpropanamide

2-(3-cyanophenoxy)-N-methylpropanamide (PubChem CID 43085589) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-methylpropanamide
PubChem CID43085589
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3-cyanophenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-8(11(14)13-2)15-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKeyWFRMVCVQQJAGKO-UHFFFAOYSA-N
XLogP1.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7964286
(2R)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964177
(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964176
methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate
CID 47727905
N-methyl-2-phenoxypropanamide
CID 4626974
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
CID 111334999
2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide
CID 75800083

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-methylpropanamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-methylpropanamide (CID 43085589) is 2-(3-cyanophenoxy)-N-methylpropanamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-methylpropanamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-methylpropanamide is CNC(=O)C(C)Oc1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-methylpropanamide?
The InChIKey is WFRMVCVQQJAGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(11(14)13-2)15-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of 2-(3-cyanophenoxy)-N-methylpropanamide?
2-(3-cyanophenoxy)-N-methylpropanamide has a molecular weight of 204.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-methylpropanamide is sourced from PubChem (CID 43085589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).