[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C14H16Cl2N2O4 — CID 9200643

IUPAC[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCNC(=O)CN(C)C(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c1-17-12(19)7-18(2)13(20)8-22-14(21)6-9-10(15)4-3-5-11(9)16/h3-5H,6-8H2,1-2H3,(H,17,19)
InChIKeyBSIOBLJQGSTLKK-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.28
Rot. Bonds6

About [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 9200643) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID9200643
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCNC(=O)CN(C)C(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c1-17-12(19)7-18(2)13(20)8-22-14(21)6-9-10(15)4-3-5-11(9)16/h3-5H,6-8H2,1-2H3,(H,17,19)
InChIKeyBSIOBLJQGSTLKK-UHFFFAOYSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 8001276
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718388
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 55357935
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016204
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 40752824
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8624976
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492467
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808957
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336620
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 9019075
ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7767309

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 9200643) is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is CNC(=O)CN(C)C(=O)COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is BSIOBLJQGSTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-17-12(19)7-18(2)13(20)8-22-14(21)6-9-10(15)4-3-5-11(9)16/h3-5H,6-8H2,1-2H3,(H,17,19).
What are the key properties of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 347.20 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 9200643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).