[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate

C19H19NO5 — CID 9473896

IUPAC[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
SMILESCc1ccc(C(=O)COC(=O)COc2ccccc2C(N)=O)cc1C
InChIInChI=1S/C19H19NO5/c1-12-7-8-14(9-13(12)2)16(21)10-25-18(22)11-24-17-6-4-3-5-15(17)19(20)23/h3-9H,10-11H2,1-2H3,(H2,20,23)
InChIKeyUMBLOAAUOXQQMB-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.21
Rot. Bonds7

About [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate

[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate (PubChem CID 9473896) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
PubChem CID9473896
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
SMILESCc1ccc(C(=O)COC(=O)COc2ccccc2C(N)=O)cc1C
InChIInChI=1S/C19H19NO5/c1-12-7-8-14(9-13(12)2)16(21)10-25-18(22)11-24-17-6-4-3-5-15(17)19(20)23/h3-9H,10-11H2,1-2H3,(H2,20,23)
InChIKeyUMBLOAAUOXQQMB-UHFFFAOYSA-N
XLogP2.21
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 23826491
[2-(furan-3-yl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 166385969
[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 9473965
2-phenacyloxybenzamide
CID 43218588
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide
CID 78789436
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2407523
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712866
propan-2-yl 2-(2-carbamoylphenoxy)acetate
CID 24633131
2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide
CID 114482179
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate?
The IUPAC name of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate (CID 9473896) is [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate?
The canonical SMILES for [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate is Cc1ccc(C(=O)COC(=O)COc2ccccc2C(N)=O)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate?
The InChIKey is UMBLOAAUOXQQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12-7-8-14(9-13(12)2)16(21)10-25-18(22)11-24-17-6-4-3-5-15(17)19(20)23/h3-9H,10-11H2,1-2H3,(H2,20,23).
What are the key properties of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate?
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate has a molecular weight of 341.36 g/mol, XLogP of 2.21, 7 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-carbamoylphenoxy)acetate is sourced from PubChem (CID 9473896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).