methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate

C16H25NO4 — CID 62336363

IUPACmethyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCOc1cccc(OCC)c1)C(=O)OC
InChIInChI=1S/C16H25NO4/c1-5-17-16(3,15(18)19-4)10-11-21-14-9-7-8-13(12-14)20-6-2/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyVMPYIUSUUVQFIB-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.40
Rot. Bonds9

About methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate

methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate (PubChem CID 62336363) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
PubChem CID62336363
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCOc1cccc(OCC)c1)C(=O)OC
InChIInChI=1S/C16H25NO4/c1-5-17-16(3,15(18)19-4)10-11-21-14-9-7-8-13(12-14)20-6-2/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyVMPYIUSUUVQFIB-UHFFFAOYSA-N
XLogP2.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 62337288
ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
CID 62337488
methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
CID 62336916
ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
CID 62337690
2-(cyclopropylamino)-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62337489
2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62336178
methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626
ethyl 4-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62784331
1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 116566228
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
CID 66320364

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate?
The IUPAC name of methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate (CID 62336363) is methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate.
What is the SMILES notation for methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate?
The canonical SMILES for methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate is CCNC(C)(CCOc1cccc(OCC)c1)C(=O)OC.
What is the InChIKey of methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate?
The InChIKey is VMPYIUSUUVQFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-17-16(3,15(18)19-4)10-11-21-14-9-7-8-13(12-14)20-6-2/h7-9,12,17H,5-6,10-11H2,1-4H3.
What are the key properties of methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate?
methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate has a molecular weight of 295.38 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate is sourced from PubChem (CID 62336363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).