methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate

C15H23NO4 — CID 107668050

IUPACmethyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate
SMILESCCc1ccc(OCCC(NC)C(=O)OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-5-11-6-7-13(14(10-11)18-3)20-9-8-12(16-2)15(17)19-4/h6-7,10,12,16H,5,8-9H2,1-4H3
InChIKeyUBGORCULTAUEBB-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.79
Rot. Bonds8

About methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate

methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate (PubChem CID 107668050) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate
PubChem CID107668050
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate
SMILESCCc1ccc(OCCC(NC)C(=O)OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-5-11-6-7-13(14(10-11)18-3)20-9-8-12(16-2)15(17)19-4/h6-7,10,12,16H,5,8-9H2,1-4H3
InChIKeyUBGORCULTAUEBB-UHFFFAOYSA-N
XLogP1.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
methyl 4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanoate
CID 63041495
1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene
CID 107664504
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
CID 112512244
3-(4-ethyl-2-methoxyphenoxy)propanethioamide
CID 107664967
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
CID 63041617
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide
CID 107744699
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate (CID 107668050) is methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate is CCc1ccc(OCCC(NC)C(=O)OC)c(OC)c1.
What is the InChIKey of methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate?
The InChIKey is UBGORCULTAUEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-11-6-7-13(14(10-11)18-3)20-9-8-12(16-2)15(17)19-4/h6-7,10,12,16H,5,8-9H2,1-4H3.
What are the key properties of methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate?
methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate has a molecular weight of 281.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate is sourced from PubChem (CID 107668050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).