3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide

C12H15N3O2 — CID 55061966

IUPAC3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2/c1-2-15-12(16)5-6-17-11-4-3-10(14)7-9(11)8-13/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyHJGNOITZNGKGIY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.05
Rot. Bonds5

About 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide

3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide (PubChem CID 55061966) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
PubChem CID55061966
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2/c1-2-15-12(16)5-6-17-11-4-3-10(14)7-9(11)8-13/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyHJGNOITZNGKGIY-UHFFFAOYSA-N
XLogP1.05
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 62623218
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide
CID 102724123
3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
CID 62325813
3-(2-amino-4-bromophenoxy)-N-ethylpropanamide
CID 65430157
N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
CID 18069922
5-amino-2-(3-hydroxy-3-methylbutoxy)benzonitrile
CID 79359461
5-amino-2-(5-hydroxypentoxy)benzonitrile
CID 62227075
2-(4-amino-2-cyanophenoxy)acetate
CID 23062559
5-amino-2-(3-fluoropropoxy)benzonitrile
CID 81107247
5-amino-2-(3-cyanopropoxy)benzonitrile
CID 61267359
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide?
The IUPAC name of 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide (CID 55061966) is 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide?
The canonical SMILES for 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide is CCNC(=O)CCOc1ccc(N)cc1C#N.
What is the InChIKey of 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide?
The InChIKey is HJGNOITZNGKGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-15-12(16)5-6-17-11-4-3-10(14)7-9(11)8-13/h3-4,7H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide?
3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 55061966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).