2-(4-amino-2-cyanophenoxy)-N-propylacetamide

C12H15N3O2 — CID 61268284

IUPAC2-(4-amino-2-cyanophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2/c1-2-5-15-12(16)8-17-11-4-3-10(14)6-9(11)7-13/h3-4,6H,2,5,8,14H2,1H3,(H,15,16)
InChIKeyNNAJZZPKXCZUDZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.05
Rot. Bonds5

About 2-(4-amino-2-cyanophenoxy)-N-propylacetamide

2-(4-amino-2-cyanophenoxy)-N-propylacetamide (PubChem CID 61268284) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4-amino-2-cyanophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-cyanophenoxy)-N-propylacetamide
PubChem CID61268284
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(4-amino-2-cyanophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2/c1-2-5-15-12(16)8-17-11-4-3-10(14)6-9(11)7-13/h3-4,6H,2,5,8,14H2,1H3,(H,15,16)
InChIKeyNNAJZZPKXCZUDZ-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

2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
2-(4-amino-2-bromophenoxy)-N-propylacetamide
CID 155894555
2-(4-bromo-2-cyanophenoxy)-N-butylacetamide
CID 80602356
2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
CID 80708099
2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
CID 61268838
3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
CID 55061966
2-(4-amino-2-cyanophenoxy)acetate
CID 23062559
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
CID 82064189
2-(4-bromo-2-cyanophenoxy)-N-(3-methoxypropyl)acetamide
CID 80601774
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
CID 62109940

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyanophenoxy)-N-propylacetamide?
The IUPAC name of 2-(4-amino-2-cyanophenoxy)-N-propylacetamide (CID 61268284) is 2-(4-amino-2-cyanophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(4-amino-2-cyanophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(4-amino-2-cyanophenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(N)cc1C#N.
What is the InChIKey of 2-(4-amino-2-cyanophenoxy)-N-propylacetamide?
The InChIKey is NNAJZZPKXCZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-5-15-12(16)8-17-11-4-3-10(14)6-9(11)7-13/h3-4,6H,2,5,8,14H2,1H3,(H,15,16).
What are the key properties of 2-(4-amino-2-cyanophenoxy)-N-propylacetamide?
2-(4-amino-2-cyanophenoxy)-N-propylacetamide 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 2-(4-amino-2-cyanophenoxy)-N-propylacetamide is sourced from PubChem (CID 61268284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).