methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate

C14H18Cl2N2O3 — CID 62012884

IUPACmethyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-18(8-4-7-13(20)21-2)9-12(19)17-14-10(15)5-3-6-11(14)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19)
InChIKeyUQIUXKSHTPHRSM-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.82
Rot. Bonds7

About methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate

methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate (PubChem CID 62012884) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
PubChem CID62012884
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Namemethyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-18(8-4-7-13(20)21-2)9-12(19)17-14-10(15)5-3-6-11(14)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19)
InChIKeyUQIUXKSHTPHRSM-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 methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate with MolForge

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Related Compounds

methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067
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
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-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
methyl 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]butanoate
CID 62012696
methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012302

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate (CID 62012884) is methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate is COC(=O)CCCN(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate?
The InChIKey is UQIUXKSHTPHRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-18(8-4-7-13(20)21-2)9-12(19)17-14-10(15)5-3-6-11(14)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19).
What are the key properties of methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate?
methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate 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 methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate is sourced from PubChem (CID 62012884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).