[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate

C20H23NO4 — CID 9290680

IUPAC[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCOc1ccccc1CCNC(=O)COC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H23NO4/c1-14-8-9-17(12-15(14)2)20(23)25-13-19(22)21-11-10-16-6-4-5-7-18(16)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyNHMTYTWPKKSPTR-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.83
Rot. Bonds7

About [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 9290680) 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] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID9290680
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCOc1ccccc1CCNC(=O)COC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H23NO4/c1-14-8-9-17(12-15(14)2)20(23)25-13-19(22)21-11-10-16-6-4-5-7-18(16)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyNHMTYTWPKKSPTR-UHFFFAOYSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540699
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290698
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 9197258
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017790
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 55398336
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387139

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate (CID 9290680) is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate is COc1ccccc1CCNC(=O)COC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is NHMTYTWPKKSPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-8-9-17(12-15(14)2)20(23)25-13-19(22)21-11-10-16-6-4-5-7-18(16)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 341.41 g/mol, XLogP of 2.83, 7 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] 3,4-dimethylbenzoate is sourced from PubChem (CID 9290680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).