[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate

C22H27NO4 — CID 7524265

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H27NO4/c1-5-26-19-9-7-6-8-18(19)10-11-21(25)27-14-20(24)23-22-16(3)12-15(2)13-17(22)4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,23,24)
InChIKeyXIHBUCXWUOGTCG-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.13
Rot. Bonds8

About [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 7524265) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID7524265
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H27NO4/c1-5-26-19-9-7-6-8-18(19)10-11-21(25)27-14-20(24)23-22-16(3)12-15(2)13-17(22)4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,23,24)
InChIKeyXIHBUCXWUOGTCG-UHFFFAOYSA-N
XLogP4.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7523992
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7578048
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731416
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524036
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524402
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731140
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate (CID 7524265) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is XIHBUCXWUOGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-26-19-9-7-6-8-18(19)10-11-21(25)27-14-20(24)23-22-16(3)12-15(2)13-17(22)4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,23,24).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 369.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 7524265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).