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

C19H21NO4 — CID 8704893

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H21NO4/c1-13-7-4-5-10-16(13)23-12-18(22)24-11-17(21)20-19-14(2)8-6-9-15(19)3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeySGLUNENIZTYRJZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.17
Rot. Bonds6

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

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 8704893) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID8704893
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H21NO4/c1-13-7-4-5-10-16(13)23-12-18(22)24-11-17(21)20-19-14(2)8-6-9-15(19)3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeySGLUNENIZTYRJZ-UHFFFAOYSA-N
XLogP3.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982127
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854161
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815255
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842401
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839428
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335908
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 8704893) is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is SGLUNENIZTYRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-7-4-5-10-16(13)23-12-18(22)24-11-17(21)20-19-14(2)8-6-9-15(19)3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 327.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 8704893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).