2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide

C13H20N2O3 — CID 62336178

IUPAC2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
SMILESCCOc1cccc(OCCC(C)(N)C(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-3-17-10-5-4-6-11(9-10)18-8-7-13(2,15)12(14)16/h4-6,9H,3,7-8,15H2,1-2H3,(H2,14,16)
InChIKeyGGGITUWMZAIFIF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.06
Rot. Bonds7

About 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide

2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide (PubChem CID 62336178) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
PubChem CID62336178
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
SMILESCCOc1cccc(OCCC(C)(N)C(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-3-17-10-5-4-6-11(9-10)18-8-7-13(2,15)12(14)16/h4-6,9H,3,7-8,15H2,1-2H3,(H2,14,16)
InChIKeyGGGITUWMZAIFIF-UHFFFAOYSA-N
XLogP1.06
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
CID 62337690
2-(cyclopropylamino)-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62337489
methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
CID 62336916
5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 62337288
methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62336363
1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354145
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene
CID 177106556
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide?
The IUPAC name of 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide (CID 62336178) is 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide.
What is the SMILES notation for 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide?
The canonical SMILES for 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide is CCOc1cccc(OCCC(C)(N)C(N)=O)c1.
What is the InChIKey of 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide?
The InChIKey is GGGITUWMZAIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-17-10-5-4-6-11(9-10)18-8-7-13(2,15)12(14)16/h4-6,9H,3,7-8,15H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide?
2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide has a molecular weight of 252.31 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide is sourced from PubChem (CID 62336178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).