ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate

C16H25NO4 — CID 62337488

IUPACethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(COc1cccc(OCC)c1)C(=O)OCC
InChIInChI=1S/C16H25NO4/c1-5-17-16(4,15(18)20-7-3)12-21-14-10-8-9-13(11-14)19-6-2/h8-11,17H,5-7,12H2,1-4H3
InChIKeyVVZAPEBQBMFTKA-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.40
Rot. Bonds9

About ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate

ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate (PubChem CID 62337488) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
PubChem CID62337488
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(COc1cccc(OCC)c1)C(=O)OCC
InChIInChI=1S/C16H25NO4/c1-5-17-16(4,15(18)20-7-3)12-21-14-10-8-9-13(11-14)19-6-2/h8-11,17H,5-7,12H2,1-4H3
InChIKeyVVZAPEBQBMFTKA-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

methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62336363
5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 62337288
ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
CID 62337690
1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 116566228
ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
CID 140570358
N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
CID 79621302
methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
CID 62336916
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
ethyl 4-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62784331
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64718695
ethyl 3-(3-ethoxyphenoxy)-2-(propan-2-ylamino)propanoate
CID 62335987

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate?
The IUPAC name of ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate (CID 62337488) is ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate is CCNC(C)(COc1cccc(OCC)c1)C(=O)OCC.
What is the InChIKey of ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate?
The InChIKey is VVZAPEBQBMFTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-17-16(4,15(18)20-7-3)12-21-14-10-8-9-13(11-14)19-6-2/h8-11,17H,5-7,12H2,1-4H3.
What are the key properties of ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate?
ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate 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 ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 62337488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).