[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate

C23H21NO4 — CID 8920045

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESCc1ccc(NC(=O)COC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c1-17-11-13-19(14-12-17)24-22(25)15-28-23(26)16-27-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyDGPYPEDODNCIJK-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.22
Rot. Bonds7

About [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate

[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate (PubChem CID 8920045) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
PubChem CID8920045
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESCc1ccc(NC(=O)COC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c1-17-11-13-19(14-12-17)24-22(25)15-28-23(26)16-27-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyDGPYPEDODNCIJK-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 42963010
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919723
[2-(4-methylanilino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063344
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
N-[4-(2-hydroxyethyl)phenyl]-2-(2-phenylphenoxy)acetamide
CID 110906499
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920117
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8919475
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919380
[2-(2-nitroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920193
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate (CID 8920045) is [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate is Cc1ccc(NC(=O)COC(=O)COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The InChIKey is DGPYPEDODNCIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-17-11-13-19(14-12-17)24-22(25)15-28-23(26)16-27-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate has a molecular weight of 375.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 8920045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).