methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate

C24H24Cl2N2O4 — CID 163724747

IUPACmethyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(-c2cc(NCCc3ccc(Cl)cc3Cl)c(C)c(OC)n2)c1
InChIInChI=1S/C24H24Cl2N2O4/c1-15-21(27-10-9-16-7-8-18(25)12-20(16)26)13-22(28-24(15)31-3)17-5-4-6-19(11-17)32-14-23(29)30-2/h4-8,11-13H,9-10,14H2,1-3H3,(H,27,28)
InChIKeyKUPQIYRJEGWQQO-UHFFFAOYSA-N
MW475.37 g/mol
LogP5.58
Rot. Bonds9

About methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate

methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate (PubChem CID 163724747) has the molecular formula C24H24Cl2N2O4 and a molecular weight of 475.37 g/mol. Its IUPAC name is methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate
PubChem CID163724747
Molecular FormulaC24H24Cl2N2O4
Molecular Weight475.37 g/mol
Exact Mass474.11
IUPAC Namemethyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(-c2cc(NCCc3ccc(Cl)cc3Cl)c(C)c(OC)n2)c1
InChIInChI=1S/C24H24Cl2N2O4/c1-15-21(27-10-9-16-7-8-18(25)12-20(16)26)13-22(28-24(15)31-3)17-5-4-6-19(11-17)32-14-23(29)30-2/h4-8,11-13H,9-10,14H2,1-3H3,(H,27,28)
InChIKeyKUPQIYRJEGWQQO-UHFFFAOYSA-N
XLogP5.58
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.37
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate with MolForge

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 5021032
carbonic acid;6-(3-cyclopentylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxypyrimidin-4-amine
CID 70375638
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate
CID 95922488
2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-N-ethylsulfinyl-2,2-difluoroacetamide
CID 143652168
methyl 4-[3-[(2,4-dichlorophenyl)methoxy]phenoxy]butanoate
CID 123685242
methyl 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenoxy]acetate
CID 90112439
2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenoxy]acetonitrile;2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenoxy]-N'-hydroxyethanimidamide;3-[[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenoxy]methyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 172983583
1-ethoxycarbonyloxyethyl 2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoate;hydrochloride
CID 69070383
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate (CID 163724747) is methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate is COC(=O)COc1cccc(-c2cc(NCCc3ccc(Cl)cc3Cl)c(C)c(OC)n2)c1.
What is the InChIKey of methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate?
The InChIKey is KUPQIYRJEGWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4/c1-15-21(27-10-9-16-7-8-18(25)12-20(16)26)13-22(28-24(15)31-3)17-5-4-6-19(11-17)32-14-23(29)30-2/h4-8,11-13H,9-10,14H2,1-3H3,(H,27,28).
What are the key properties of methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate?
methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate has a molecular weight of 475.37 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-[2-(2,4-dichlorophenyl)ethylamino]-6-methoxy-5-methyl-2-pyridinyl]phenoxy]acetate is sourced from PubChem (CID 163724747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).