[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C21H25NO4 — CID 7767828

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)COc1ccccc1C
InChIInChI=1S/C21H25NO4/c1-4-16-10-8-11-17(5-2)21(16)22-19(23)13-26-20(24)14-25-18-12-7-6-9-15(18)3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyZCVOOUJHPXJSIQ-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.68
Rot. Bonds8

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

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 7767828) 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-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID7767828
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)COc1ccccc1C
InChIInChI=1S/C21H25NO4/c1-4-16-10-8-11-17(5-2)21(16)22-19(23)13-26-20(24)14-25-18-12-7-6-9-15(18)3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyZCVOOUJHPXJSIQ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982127

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 7767828) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is CCc1cccc(CC)c1NC(=O)COC(=O)COc1ccccc1C.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is ZCVOOUJHPXJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-16-10-8-11-17(5-2)21(16)22-19(23)13-26-20(24)14-25-18-12-7-6-9-15(18)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-(2-methylphenoxy)acetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 355.43 g/mol, XLogP of 3.68, 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-(2-methylphenoxy)acetate is sourced from PubChem (CID 7767828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).