[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

C22H24N2O7 — CID 42976059

IUPAC[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)COC(=O)CNC(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O7/c1-2-29-22(28)14-24(17-9-5-3-6-10-17)20(26)16-31-21(27)13-23-19(25)15-30-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,23,25)
InChIKeyXTKDTWAECYZSQH-UHFFFAOYSA-N
MW428.44 g/mol
LogP1.32
Rot. Bonds11

About [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 42976059) has the molecular formula C22H24N2O7 and a molecular weight of 428.44 g/mol. Its IUPAC name is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID42976059
Molecular FormulaC22H24N2O7
Molecular Weight428.44 g/mol
Exact Mass428.16
IUPAC Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)COC(=O)CNC(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O7/c1-2-29-22(28)14-24(17-9-5-3-6-10-17)20(26)16-31-21(27)13-23-19(25)15-30-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,23,25)
InChIKeyXTKDTWAECYZSQH-UHFFFAOYSA-N
XLogP1.32
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate with MolForge

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Related Compounds

ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
CID 55318197
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 55305387
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
CID 55324833
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018336
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946

Frequently Asked Questions

What is the IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (CID 42976059) is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is CCOC(=O)CN(C(=O)COC(=O)CNC(=O)COc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is XTKDTWAECYZSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7/c1-2-29-22(28)14-24(17-9-5-3-6-10-17)20(26)16-31-21(27)13-23-19(25)15-30-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,23,25).
What are the key properties of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 428.44 g/mol, XLogP of 1.32, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 42976059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).