ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate

C13H15Cl3N2O3 — CID 62013363

IUPACethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3N2O3/c1-3-21-12(20)7-18(2)6-11(19)17-13-9(15)4-8(14)5-10(13)16/h4-5H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyBUKOZYRUMLGSHM-UHFFFAOYSA-N
MW353.63 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate

ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate (PubChem CID 62013363) has the molecular formula C13H15Cl3N2O3 and a molecular weight of 353.63 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate
PubChem CID62013363
Molecular FormulaC13H15Cl3N2O3
Molecular Weight353.63 g/mol
Exact Mass352.01
IUPAC Nameethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3N2O3/c1-3-21-12(20)7-18(2)6-11(19)17-13-9(15)4-8(14)5-10(13)16/h4-5H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyBUKOZYRUMLGSHM-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.63
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836
ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
3,5-dichloro-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid
CID 43360203
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate
CID 54000840
ethyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]acetate
CID 62011415
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate (CID 62013363) is ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate is CCOC(=O)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate?
The InChIKey is BUKOZYRUMLGSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O3/c1-3-21-12(20)7-18(2)6-11(19)17-13-9(15)4-8(14)5-10(13)16/h4-5H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate?
ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate has a molecular weight of 353.63 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate is sourced from PubChem (CID 62013363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).