methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate

C14H18Cl2N2O3 — CID 60704441

IUPACmethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-9(14(20)21-3)7-18(2)8-12(19)17-13-10(15)5-4-6-11(13)16/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyINBPNELOXNLMMQ-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.67
Rot. Bonds6

About methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60704441) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60704441
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Namemethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-9(14(20)21-3)7-18(2)8-12(19)17-13-10(15)5-4-6-11(13)16/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyINBPNELOXNLMMQ-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013612
methyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013625
methyl 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011113
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
methyl 2-methyl-3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoate
CID 60704243
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632
methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012884
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60704441) is methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is INBPNELOXNLMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-9(14(20)21-3)7-18(2)8-12(19)17-13-10(15)5-4-6-11(13)16/h4-6,9H,7-8H2,1-3H3,(H,17,19).
What are the key properties of methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 333.22 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60704441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).