[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

C21H25NO4 — CID 7840226

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C21H25NO4/c1-4-16-9-7-10-17(5-2)21(16)22-19(23)14-26-20(24)13-15-8-6-11-18(12-15)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyWUMJTWNGWDSMMO-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.54
Rot. Bonds8

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 7840226) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
PubChem CID7840226
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C21H25NO4/c1-4-16-9-7-10-17(5-2)21(16)22-19(23)14-26-20(24)13-15-8-6-11-18(12-15)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyWUMJTWNGWDSMMO-UHFFFAOYSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792855
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792879
[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834140
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792849
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (CID 7840226) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is CCc1cccc(CC)c1NC(=O)COC(=O)Cc1cccc(OC)c1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is WUMJTWNGWDSMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-16-9-7-10-17(5-2)21(16)22-19(23)14-26-20(24)13-15-8-6-11-18(12-15)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 355.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 7840226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).