methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate

C13H17NO4 — CID 162353946

IUPACmethyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(=O)CN(C)C
InChIInChI=1S/C13H17NO4/c1-14(2)8-11(15)10-6-4-5-7-12(10)18-9-13(16)17-3/h4-7H,8-9H2,1-3H3
InChIKeyKXKVJMVGUCVLSL-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.98
Rot. Bonds6

About methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate

methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate (PubChem CID 162353946) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate
PubChem CID162353946
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(=O)CN(C)C
InChIInChI=1S/C13H17NO4/c1-14(2)8-11(15)10-6-4-5-7-12(10)18-9-13(16)17-3/h4-7H,8-9H2,1-3H3
InChIKeyKXKVJMVGUCVLSL-UHFFFAOYSA-N
XLogP0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 79018019
CID 58544147
CID 58544147
methyl 2-(2-formylphenoxy)acetate
CID 5151625
methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate
CID 144888078
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate
CID 171703959
2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051399
CID 88907825
CID 88907825
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate (CID 162353946) is methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate is COC(=O)COc1ccccc1C(=O)CN(C)C.
What is the InChIKey of methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate?
The InChIKey is KXKVJMVGUCVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(2)8-11(15)10-6-4-5-7-12(10)18-9-13(16)17-3/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate?
methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate has a molecular weight of 251.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate is sourced from PubChem (CID 162353946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).