N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide

C27H25N3O3 — CID 162747308

IUPACN-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide
SMILESCCOc1ccccc1Oc1cccc(-c2cncc(NC(=O)CCc3ccccc3)n2)c1
InChIInChI=1S/C27H25N3O3/c1-2-32-24-13-6-7-14-25(24)33-22-12-8-11-21(17-22)23-18-28-19-26(29-23)30-27(31)16-15-20-9-4-3-5-10-20/h3-14,17-19H,2,15-16H2,1H3,(H,29,30,31)
InChIKeyWESHMPUJOAYWBF-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.91
Rot. Bonds9

About N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide

N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide (PubChem CID 162747308) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide
PubChem CID162747308
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide
SMILESCCOc1ccccc1Oc1cccc(-c2cncc(NC(=O)CCc3ccccc3)n2)c1
InChIInChI=1S/C27H25N3O3/c1-2-32-24-13-6-7-14-25(24)33-22-12-8-11-21(17-22)23-18-28-19-26(29-23)30-27(31)16-15-20-9-4-3-5-10-20/h3-14,17-19H,2,15-16H2,1H3,(H,29,30,31)
InChIKeyWESHMPUJOAYWBF-UHFFFAOYSA-N
XLogP5.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide (CID 162747308) is N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide is CCOc1ccccc1Oc1cccc(-c2cncc(NC(=O)CCc3ccccc3)n2)c1.
What is the InChIKey of N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide?
The InChIKey is WESHMPUJOAYWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-2-32-24-13-6-7-14-25(24)33-22-12-8-11-21(17-22)23-18-28-19-26(29-23)30-27(31)16-15-20-9-4-3-5-10-20/h3-14,17-19H,2,15-16H2,1H3,(H,29,30,31).
What are the key properties of N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide?
N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide has a molecular weight of 439.52 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 162747308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).