[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate

C25H25NO5 — CID 29342398

IUPAC[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C25H25NO5/c1-18-12-13-22(23(14-18)29-2)30-17-25(28)31-16-24(27)26-21-11-7-6-10-20(21)15-19-8-4-3-5-9-19/h3-14H,15-17H2,1-2H3,(H,26,27)
InChIKeyXBTMTBVUDMYJIT-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.16
Rot. Bonds9

About [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate

[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate (PubChem CID 29342398) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
PubChem CID29342398
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C25H25NO5/c1-18-12-13-22(23(14-18)29-2)30-17-25(28)31-16-24(27)26-21-11-7-6-10-20(21)15-19-8-4-3-5-9-19/h3-14H,15-17H2,1-2H3,(H,26,27)
InChIKeyXBTMTBVUDMYJIT-UHFFFAOYSA-N
XLogP4.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326852
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832
[2-(2-benzylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840497
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
2-(2-methoxy-4-methylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 35079349
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997857
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 30033969
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919136
N-(2-benzylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045822
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112767241

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The IUPAC name of [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate (CID 29342398) is [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate.
What is the SMILES notation for [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The canonical SMILES for [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate is COc1cc(C)ccc1OCC(=O)OCC(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The InChIKey is XBTMTBVUDMYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-18-12-13-22(23(14-18)29-2)30-17-25(28)31-16-24(27)26-21-11-7-6-10-20(21)15-19-8-4-3-5-9-19/h3-14H,15-17H2,1-2H3,(H,26,27).
What are the key properties of [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate has a molecular weight of 419.48 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate is sourced from PubChem (CID 29342398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).