[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate

C22H27NO5 — CID 71823037

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2cccc(CC)c2)cc1OCC
InChIInChI=1S/C22H27NO5/c1-4-16-8-7-9-18(12-16)23-21(24)15-28-22(25)14-17-10-11-19(26-5-2)20(13-17)27-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,23,24)
InChIKeyYTBNSOMMROJFGN-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.77
Rot. Bonds10

About [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate

[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate (PubChem CID 71823037) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
PubChem CID71823037
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2cccc(CC)c2)cc1OCC
InChIInChI=1S/C22H27NO5/c1-4-16-8-7-9-18(12-16)23-21(24)15-28-22(25)14-17-10-11-19(26-5-2)20(13-17)27-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,23,24)
InChIKeyYTBNSOMMROJFGN-UHFFFAOYSA-N
XLogP3.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71822991
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
[2-(4-butylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823001
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523
[2-(2-methylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823053
ethyl 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 71823049
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 993572
[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615444
[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814066

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate (CID 71823037) is [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(CC)c2)cc1OCC.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The InChIKey is YTBNSOMMROJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-4-16-8-7-9-18(12-16)23-21(24)15-28-22(25)14-17-10-11-19(26-5-2)20(13-17)27-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,23,24).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate has a molecular weight of 385.46 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate is sourced from PubChem (CID 71823037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).