methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate

C20H23NO6 — CID 8808009

IUPACmethyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NCCc2ccccc2OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-24-16-7-5-4-6-14(16)10-11-21-19(22)13-27-17-9-8-15(20(23)26-3)12-18(17)25-2/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyITVJUUBNQICHDN-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.23
Rot. Bonds9

About methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate

methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate (PubChem CID 8808009) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
PubChem CID8808009
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NCCc2ccccc2OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-24-16-7-5-4-6-14(16)10-11-21-19(22)13-27-17-9-8-15(20(23)26-3)12-18(17)25-2/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyITVJUUBNQICHDN-UHFFFAOYSA-N
XLogP2.23
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290680
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540699
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 8807995
methyl 3-bromo-4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 36942712
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-(2-methoxyphenyl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977943
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109025317
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26181291
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate (CID 8808009) is methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)NCCc2ccccc2OC)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate?
The InChIKey is ITVJUUBNQICHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-16-7-5-4-6-14(16)10-11-21-19(22)13-27-17-9-8-15(20(23)26-3)12-18(17)25-2/h4-9,12H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate?
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate has a molecular weight of 373.41 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 8808009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).