ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate

C24H26N2O4 — CID 142687427

IUPACethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccc(OCc2ccc(-c3ncccn3)cc2)cc1)OCC
InChIInChI=1S/C24H26N2O4/c1-3-28-22(24(27)29-4-2)16-18-8-12-21(13-9-18)30-17-19-6-10-20(11-7-19)23-25-14-5-15-26-23/h5-15,22H,3-4,16-17H2,1-2H3
InChIKeyZKRAJYAGGLHVMO-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.23
Rot. Bonds10

About ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate

ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate (PubChem CID 142687427) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate
PubChem CID142687427
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Nameethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccc(OCc2ccc(-c3ncccn3)cc2)cc1)OCC
InChIInChI=1S/C24H26N2O4/c1-3-28-22(24(27)29-4-2)16-18-8-12-21(13-9-18)30-17-19-6-10-20(11-7-19)23-25-14-5-15-26-23/h5-15,22H,3-4,16-17H2,1-2H3
InChIKeyZKRAJYAGGLHVMO-UHFFFAOYSA-N
XLogP4.23
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl (2S)-2-ethoxy-3-[4-[[4-(hydroxymethyl)-2-pyridinyl]methoxy]phenyl]propanoate
CID 121370835
ethyl (2S)-2-ethoxy-3-[4-[2-(4-hydroxyphenyl)ethoxy]phenyl]propanoate
CID 71012940
ethyl 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoate
CID 160733152
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625711
ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate
CID 69418001
ethyl (2S)-3-[4-[3-[4-(1,3-benzothiazol-2-yl)phenoxy]propoxy]phenyl]-2-ethoxypropanoate
CID 142699943
ethyl 3-[4-[(E)-3-[4-(4-bromophenyl)phenyl]-2-methylbut-2-enoxy]phenyl]-2-ethoxypropanoate
CID 10280334
propyl 2-ethoxy-3-(4-methylphenyl)propanoate
CID 142845050
ethyl (2S)-2-ethoxy-3-[4-(2-methylsulfonyloxyethoxy)phenyl]propanoate
CID 162640114
(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 90468820
ethyl 2-(4-tert-butylphenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate (CID 142687427) is ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate is CCOC(=O)C(Cc1ccc(OCc2ccc(-c3ncccn3)cc2)cc1)OCC.
What is the InChIKey of ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate?
The InChIKey is ZKRAJYAGGLHVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-28-22(24(27)29-4-2)16-18-8-12-21(13-9-18)30-17-19-6-10-20(11-7-19)23-25-14-5-15-26-23/h5-15,22H,3-4,16-17H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate?
ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate has a molecular weight of 406.48 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 142687427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).