[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate

C21H23NO5 — CID 2066742

IUPAC[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate
SMILESCc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2C)cc1C
InChIInChI=1S/C21H23NO5/c1-14-8-9-17(10-16(14)3)18(23)12-27-21(25)11-22-20(24)13-26-19-7-5-4-6-15(19)2/h4-10H,11-13H2,1-3H3,(H,22,24)
InChIKeyRGXHGAXRKUTNDL-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.53
Rot. Bonds8

About [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate

[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate (PubChem CID 2066742) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate
PubChem CID2066742
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate
SMILESCc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2C)cc1C
InChIInChI=1S/C21H23NO5/c1-14-8-9-17(10-16(14)3)18(23)12-27-21(25)11-22-20(24)13-26-19-7-5-4-6-15(19)2/h4-10H,11-13H2,1-3H3,(H,22,24)
InChIKeyRGXHGAXRKUTNDL-UHFFFAOYSA-N
XLogP2.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate?
The IUPAC name of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate (CID 2066742) is [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate?
The canonical SMILES for [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate is Cc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2C)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate?
The InChIKey is RGXHGAXRKUTNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-14-8-9-17(10-16(14)3)18(23)12-27-21(25)11-22-20(24)13-26-19-7-5-4-6-15(19)2/h4-10H,11-13H2,1-3H3,(H,22,24).
What are the key properties of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate?
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate has a molecular weight of 369.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(2-methylphenoxy)acetyl]amino]acetate is sourced from PubChem (CID 2066742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).