ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate

C24H24Cl2N2O3 — CID 68528708

IUPACethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(Oc2ccc(NCCc3ccc(Cl)c(Cl)c3)cn2)cc1
InChIInChI=1S/C24H24Cl2N2O3/c1-2-30-24(29)12-6-17-3-8-20(9-4-17)31-23-11-7-19(16-28-23)27-14-13-18-5-10-21(25)22(26)15-18/h3-5,7-11,15-16,27H,2,6,12-14H2,1H3
InChIKeyARDUFTRYSDNVMY-UHFFFAOYSA-N
MW459.37 g/mol
LogP6.33
Rot. Bonds10

About ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate

ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate (PubChem CID 68528708) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate
PubChem CID68528708
Molecular FormulaC24H24Cl2N2O3
Molecular Weight459.37 g/mol
Exact Mass458.12
IUPAC Nameethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(Oc2ccc(NCCc3ccc(Cl)c(Cl)c3)cn2)cc1
InChIInChI=1S/C24H24Cl2N2O3/c1-2-30-24(29)12-6-17-3-8-20(9-4-17)31-23-11-7-19(16-28-23)27-14-13-18-5-10-21(25)22(26)15-18/h3-5,7-11,15-16,27H,2,6,12-14H2,1H3
InChIKeyARDUFTRYSDNVMY-UHFFFAOYSA-N
XLogP6.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate with MolForge

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Related Compounds

ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
ethyl 6-[4-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]phenoxy]pyridine-3-carboxylate
CID 118344926
ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176696
methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate
CID 167111381
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
ethyl 3-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176702
ethyl 3-[4-chloro-3-(trifluoromethoxy)phenyl]propanoate
CID 134632674
ethyl 5-(3,4-dichlorophenyl)-4-oxopentanoate
CID 63901312
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 10829517
N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide
CID 143176119
N-[6-[4-(2-amino-2-hydroxyiminoethyl)phenoxy]-3-pyridinyl]-3,4-dichlorobenzamide
CID 86616532

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate (CID 68528708) is ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate is CCOC(=O)CCc1ccc(Oc2ccc(NCCc3ccc(Cl)c(Cl)c3)cn2)cc1.
What is the InChIKey of ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate?
The InChIKey is ARDUFTRYSDNVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-2-30-24(29)12-6-17-3-8-20(9-4-17)31-23-11-7-19(16-28-23)27-14-13-18-5-10-21(25)22(26)15-18/h3-5,7-11,15-16,27H,2,6,12-14H2,1H3.
What are the key properties of ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate?
ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate has a molecular weight of 459.37 g/mol, XLogP of 6.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate is sourced from PubChem (CID 68528708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).