methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate

C15H23NO4 — CID 63984626

IUPACmethyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
SMILESCNC(C)(CCOc1cccc(COC)c1)C(=O)OC
InChIInChI=1S/C15H23NO4/c1-15(16-2,14(17)19-4)8-9-20-13-7-5-6-12(10-13)11-18-3/h5-7,10,16H,8-9,11H2,1-4H3
InChIKeyINHBEIJMROQDEI-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.75
Rot. Bonds8

About methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate

methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate (PubChem CID 63984626) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
PubChem CID63984626
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
SMILESCNC(C)(CCOc1cccc(COC)c1)C(=O)OC
InChIInChI=1S/C15H23NO4/c1-15(16-2,14(17)19-4)8-9-20-13-7-5-6-12(10-13)11-18-3/h5-7,10,16H,8-9,11H2,1-4H3
InChIKeyINHBEIJMROQDEI-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
CID 63985201
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62336363
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanethioamide
CID 65257289
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
CID 63986157
3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
CID 63984047

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate?
The IUPAC name of methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate (CID 63984626) is methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate is CNC(C)(CCOc1cccc(COC)c1)C(=O)OC.
What is the InChIKey of methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate?
The InChIKey is INHBEIJMROQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(16-2,14(17)19-4)8-9-20-13-7-5-6-12(10-13)11-18-3/h5-7,10,16H,8-9,11H2,1-4H3.
What are the key properties of methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate?
methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate has a molecular weight of 281.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 63984626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).