2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide

C13H17N3O2 — CID 61388717

IUPAC2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(C#N)cc1N
InChIInChI=1S/C13H17N3O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-14)5-11(12)15/h3-5,9H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyXEGYMZVPEOWCHZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.29
Rot. Bonds5

About 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide

2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 61388717) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
PubChem CID61388717
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(C#N)cc1N
InChIInChI=1S/C13H17N3O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-14)5-11(12)15/h3-5,9H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyXEGYMZVPEOWCHZ-UHFFFAOYSA-N
XLogP1.29
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.29
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-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide
CID 61388694
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide
CID 61388593
2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
CID 82064208
ethyl 2-(2-amino-4-cyanophenoxy)acetate
CID 61388704
[2-(2-methylpropylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2432900
2-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252697
3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
CID 82070196
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62393116

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide (CID 61388717) is 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc(C#N)cc1N.
What is the InChIKey of 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is XEGYMZVPEOWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-14)5-11(12)15/h3-5,9H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide?
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 61388717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).