[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate

C20H23NO4 — CID 9230095

IUPAC[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCCc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-15-8-10-17(11-9-15)20(23)25-14-19(22)21-13-12-16-6-4-5-7-18(16)24-2/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyIHYSXRJLYWVAJA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.77
Rot. Bonds8

About [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate (PubChem CID 9230095) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
PubChem CID9230095
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCCc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-15-8-10-17(11-9-15)20(23)25-14-19(22)21-13-12-16-6-4-5-7-18(16)24-2/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyIHYSXRJLYWVAJA-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 9197258
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290680
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230111
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540699
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 2607192
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
CID 9230124
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8992802

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate (CID 9230095) is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The canonical SMILES for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)NCCc2ccccc2OC)cc1.
What is the InChIKey of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The InChIKey is IHYSXRJLYWVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-15-8-10-17(11-9-15)20(23)25-14-19(22)21-13-12-16-6-4-5-7-18(16)24-2/h4-11H,3,12-14H2,1-2H3,(H,21,22).
What are the key properties of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate has a molecular weight of 341.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate is sourced from PubChem (CID 9230095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).