3-(2-cyanophenoxy)-N-methylpropanamide

C11H12N2O2 — CID 62326067

IUPAC3-(2-cyanophenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1ccccc1C#N
InChIInChI=1S/C11H12N2O2/c1-13-11(14)6-7-15-10-5-3-2-4-9(10)8-12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyZPKATDJLRYAHNH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds4

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

3-(2-cyanophenoxy)-N-methylpropanamide (PubChem CID 62326067) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(2-cyanophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-cyanophenoxy)-N-methylpropanamide
PubChem CID62326067
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(2-cyanophenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1ccccc1C#N
InChIInChI=1S/C11H12N2O2/c1-13-11(14)6-7-15-10-5-3-2-4-9(10)8-12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyZPKATDJLRYAHNH-UHFFFAOYSA-N
XLogP1.07
TPSA62.12 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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
CID 18069922
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683
sodium 5-(2-cyanophenoxy)pentanoate
CID 23693627
methyl 3-[2-(2-cyanophenoxy)ethylsulfonyl]propanoate
CID 64692649
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
4-(3-chloro-2-cyanophenoxy)-N-methylbutanamide
CID 113277276
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-(3-chloropropoxy)benzonitrile
CID 14407183

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenoxy)-N-methylpropanamide?
The IUPAC name of 3-(2-cyanophenoxy)-N-methylpropanamide (CID 62326067) is 3-(2-cyanophenoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(2-cyanophenoxy)-N-methylpropanamide?
The canonical SMILES for 3-(2-cyanophenoxy)-N-methylpropanamide is CNC(=O)CCOc1ccccc1C#N.
What is the InChIKey of 3-(2-cyanophenoxy)-N-methylpropanamide?
The InChIKey is ZPKATDJLRYAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-11(14)6-7-15-10-5-3-2-4-9(10)8-12/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(2-cyanophenoxy)-N-methylpropanamide?
3-(2-cyanophenoxy)-N-methylpropanamide has a molecular weight of 204.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenoxy)-N-methylpropanamide is sourced from PubChem (CID 62326067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).