2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide

C13H20N2O2 — CID 55108500

IUPAC2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
SMILESCCC(C)CNC(=O)COc1ccccc1N
InChIInChI=1S/C13H20N2O2/c1-3-10(2)8-15-13(16)9-17-12-7-5-4-6-11(12)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyIEQCEZXOKPFIAE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.81
Rot. Bonds6

About 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide

2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide (PubChem CID 55108500) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
PubChem CID55108500
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
SMILESCCC(C)CNC(=O)COc1ccccc1N
InChIInChI=1S/C13H20N2O2/c1-3-10(2)8-15-13(16)9-17-12-7-5-4-6-11(12)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyIEQCEZXOKPFIAE-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 115267431
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-(2-aminophenoxy)-N-hexan-2-ylacetamide
CID 62197710
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
CID 106006099
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
N-(3-amino-2-methylpropyl)-2-(2-phenylphenoxy)acetamide
CID 119996389
2-(2-aminophenoxy)-N-(2-ethylsulfanylphenyl)acetamide
CID 61104498
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide (CID 55108500) is 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide is CCC(C)CNC(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide?
The InChIKey is IEQCEZXOKPFIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10(2)8-15-13(16)9-17-12-7-5-4-6-11(12)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide?
2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide is sourced from PubChem (CID 55108500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).