ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate

C20H26N2O3 — CID 58565023

IUPACethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate
SMILESCCNCc1cc(C)ccc1-c1cc(CC(=O)OCC)cnc1OC
InChIInChI=1S/C20H26N2O3/c1-5-21-13-16-9-14(3)7-8-17(16)18-10-15(11-19(23)25-6-2)12-22-20(18)24-4/h7-10,12,21H,5-6,11,13H2,1-4H3
InChIKeyCJNZOGXSIDLGSI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.28
Rot. Bonds8

About ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate

ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate (PubChem CID 58565023) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate
PubChem CID58565023
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate
SMILESCCNCc1cc(C)ccc1-c1cc(CC(=O)OCC)cnc1OC
InChIInChI=1S/C20H26N2O3/c1-5-21-13-16-9-14(3)7-8-17(16)18-10-15(11-19(23)25-6-2)12-22-20(18)24-4/h7-10,12,21H,5-6,11,13H2,1-4H3
InChIKeyCJNZOGXSIDLGSI-UHFFFAOYSA-N
XLogP3.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
CID 58149135
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
CID 58460068
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate
CID 159258346
ethyl 2-(7-methoxyquinolin-3-yl)acetate
CID 90417413
ethyl 2-[(2-amino-5-methylphenyl)methylamino]acetate
CID 86217931
ethyl 3-[(2,5-dimethylphenyl)methylamino]propanoate
CID 23052926
ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate
CID 58148881
ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate
CID 133097500
ethyl 3-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176702
ethyl 2-[3-[2-[[(3-cyclopropyl-3-oxopropyl)amino]methyl]-4-(6-ethoxy-3-pyridinyl)phenyl]-4-methoxyphenyl]acetate
CID 66607840
methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate (CID 58565023) is ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate is CCNCc1cc(C)ccc1-c1cc(CC(=O)OCC)cnc1OC.
What is the InChIKey of ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate?
The InChIKey is CJNZOGXSIDLGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-21-13-16-9-14(3)7-8-17(16)18-10-15(11-19(23)25-6-2)12-22-20(18)24-4/h7-10,12,21H,5-6,11,13H2,1-4H3.
What are the key properties of ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate?
ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate has a molecular weight of 342.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 58565023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).