ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate

C14H18Cl2N2O3 — CID 60704458

IUPACethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-3-21-13(20)7-8-18(2)9-12(19)17-14-10(15)5-4-6-11(14)16/h4-6H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyAHMNVVXFJNYJEW-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.82
Rot. Bonds7

About ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate

ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate (PubChem CID 60704458) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
PubChem CID60704458
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Nameethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-3-21-13(20)7-8-18(2)9-12(19)17-14-10(15)5-4-6-11(14)16/h4-6H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyAHMNVVXFJNYJEW-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012884
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
CID 62012599
ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate
CID 62013363
methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60704441
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]acetamide
CID 9287046
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
ethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62013389
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 2474847

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate (CID 60704458) is ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate is CCOC(=O)CCN(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate?
The InChIKey is AHMNVVXFJNYJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-3-21-13(20)7-8-18(2)9-12(19)17-14-10(15)5-4-6-11(14)16/h4-6H,3,7-9H2,1-2H3,(H,17,19).
What are the key properties of ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate?
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate has a molecular weight of 333.22 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 60704458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).