[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate

C20H23NO5 — CID 18073894

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H23NO5/c1-4-21(13-15-8-6-5-7-9-15)19(22)14-26-20(23)16-10-17(24-2)12-18(11-16)25-3/h5-12H,4,13-14H2,1-3H3
InChIKeyXMBMZQMXTSMCFT-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.91
Rot. Bonds8

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate (PubChem CID 18073894) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
PubChem CID18073894
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H23NO5/c1-4-21(13-15-8-6-5-7-9-15)19(22)14-26-20(23)16-10-17(24-2)12-18(11-16)25-3/h5-12H,4,13-14H2,1-3H3
InChIKeyXMBMZQMXTSMCFT-UHFFFAOYSA-N
XLogP2.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 18197217
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 55326340
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548926
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080433
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204757
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8508104
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate (CID 18073894) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate is CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The InChIKey is XMBMZQMXTSMCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-21(13-15-8-6-5-7-9-15)19(22)14-26-20(23)16-10-17(24-2)12-18(11-16)25-3/h5-12H,4,13-14H2,1-3H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 18073894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).