[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C21H23FN2O5 — CID 7791734

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O5/c1-3-15-6-4-5-7-18(15)23-19(25)12-24(2)20(26)13-29-21(27)14-28-17-10-8-16(22)9-11-17/h4-11H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyYDPJGOLKJXIRDD-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.41
Rot. Bonds9

About [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791734) has the molecular formula C21H23FN2O5 and a molecular weight of 402.42 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791734
Molecular FormulaC21H23FN2O5
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O5/c1-3-15-6-4-5-7-18(15)23-19(25)12-24(2)20(26)13-29-21(27)14-28-17-10-8-16(22)9-11-17/h4-11H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyYDPJGOLKJXIRDD-UHFFFAOYSA-N
XLogP2.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate with MolForge

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521220
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
N-(2-ethylphenyl)-2-[[2-(3-fluorophenoxy)acetyl]-methylamino]acetamide
CID 8699564
N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761830
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458350
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
CID 7844933
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718388
2-[[2-(3,4-dichlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2521635
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 8607609
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527229
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791734) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate is CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)COc1ccc(F)cc1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is YDPJGOLKJXIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5/c1-3-15-6-4-5-7-18(15)23-19(25)12-24(2)20(26)13-29-21(27)14-28-17-10-8-16(22)9-11-17/h4-11H,3,12-14H2,1-2H3,(H,23,25).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 402.42 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).