methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate

C13H16Cl2N2O3 — CID 60706675

IUPACmethyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-17(8-12(19)20-2)7-6-11(18)16-13-9(14)4-3-5-10(13)15/h3-5H,6-8H2,1-2H3,(H,16,18)
InChIKeyJAWQOPNPCVLGHF-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.43
Rot. Bonds6

About methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate

methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate (PubChem CID 60706675) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
PubChem CID60706675
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Namemethyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-17(8-12(19)20-2)7-6-11(18)16-13-9(14)4-3-5-10(13)15/h3-5H,6-8H2,1-2H3,(H,16,18)
InChIKeyJAWQOPNPCVLGHF-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012884
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]acetamide
CID 9287046
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate (CID 60706675) is methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate is COC(=O)CN(C)CCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate?
The InChIKey is JAWQOPNPCVLGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-17(8-12(19)20-2)7-6-11(18)16-13-9(14)4-3-5-10(13)15/h3-5H,6-8H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate?
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate has a molecular weight of 319.19 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate is sourced from PubChem (CID 60706675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).