methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate

C15H23NO4 — CID 60965015

IUPACmethyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CCOc1ccccc1OC
InChIInChI=1S/C15H23NO4/c1-12(15(17)19-4)11-16(2)9-10-20-14-8-6-5-7-13(14)18-3/h5-8,12H,9-11H2,1-4H3
InChIKeyCVEGZVYIVXNCQY-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.81
Rot. Bonds8

About methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate

methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate (PubChem CID 60965015) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
PubChem CID60965015
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CCOc1ccccc1OC
InChIInChI=1S/C15H23NO4/c1-12(15(17)19-4)11-16(2)9-10-20-14-8-6-5-7-13(14)18-3/h5-8,12H,9-11H2,1-4H3
InChIKeyCVEGZVYIVXNCQY-UHFFFAOYSA-N
XLogP1.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60681956
N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931
methyl 3-[2-(2-bromo-4-chlorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60971207
1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 78896461
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
methyl 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60682012
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpentanamide
CID 119731994
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 60966567
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832
tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate
CID 71875972

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate (CID 60965015) is methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CCOc1ccccc1OC.
What is the InChIKey of methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate?
The InChIKey is CVEGZVYIVXNCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12(15(17)19-4)11-16(2)9-10-20-14-8-6-5-7-13(14)18-3/h5-8,12H,9-11H2,1-4H3.
What are the key properties of methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate?
methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate has a molecular weight of 281.35 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60965015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).