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

C21H23ClN2O5 — CID 2521220

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O5/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)
InChIKeyMRPKLIQWUWTBSN-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.92
Rot. Bonds9

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

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 2521220) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID2521220
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O5/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)
InChIKeyMRPKLIQWUWTBSN-UHFFFAOYSA-N
XLogP2.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791734
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
2-[[2-(3,4-dichlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2521635
N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761830
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718388
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
CID 7844933
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515762
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527229

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 2521220) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is MRPKLIQWUWTBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/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-chlorophenoxy)acetate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 418.88 g/mol, XLogP of 2.92, 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-chlorophenoxy)acetate is sourced from PubChem (CID 2521220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).