ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate

C20H25NO3 — CID 53249782

IUPACethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(OCCc2ccc(CC)cn2)cc1
InChIInChI=1S/C20H25NO3/c1-4-16-6-9-18(21-14-16)12-13-24-19-10-7-17(8-11-19)15(3)20(22)23-5-2/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyHYJULJWKUCUHPF-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.93
Rot. Bonds8

About ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate

ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate (PubChem CID 53249782) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
PubChem CID53249782
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(OCCc2ccc(CC)cn2)cc1
InChIInChI=1S/C20H25NO3/c1-4-16-6-9-18(21-14-16)12-13-24-19-10-7-17(8-11-19)15(3)20(22)23-5-2/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyHYJULJWKUCUHPF-UHFFFAOYSA-N
XLogP3.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 67367096
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
ethyl 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]oxirane-2-carboxylate
CID 11473302
butyl 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-2-methylsulfonyloxypropanoate
CID 87611190
4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
CID 87789776
2-carbamoylsulfanyl-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 58629732
2-[2-(4-bromophenoxy)ethyl]-5-ethylpyridine;sulfuric acid
CID 131698614
ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate
CID 141018086
2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde
CID 158188022
2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
CID 142964377
2-bromo-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]prop-2-enoic acid
CID 141245555
S-[1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propan-2-yl] N-formylcarbamothioate
CID 134221784

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate (CID 53249782) is ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate is CCOC(=O)C(C)c1ccc(OCCc2ccc(CC)cn2)cc1.
What is the InChIKey of ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate?
The InChIKey is HYJULJWKUCUHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-16-6-9-18(21-14-16)12-13-24-19-10-7-17(8-11-19)15(3)20(22)23-5-2/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate?
ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate has a molecular weight of 327.42 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate is sourced from PubChem (CID 53249782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).