N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide

C28H27N3O3 — CID 170022142

IUPACN-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide
SMILESCCOc1ccccc1Oc1cccc(-c2cncc(NC(=O)Cc3ccc(CC)cc3)n2)c1
InChIInChI=1S/C28H27N3O3/c1-3-20-12-14-21(15-13-20)16-28(32)31-27-19-29-18-24(30-27)22-8-7-9-23(17-22)34-26-11-6-5-10-25(26)33-4-2/h5-15,17-19H,3-4,16H2,1-2H3,(H,30,31,32)
InChIKeyLZMGJJSOKSBGOW-UHFFFAOYSA-N
MW453.54 g/mol
LogP6.08
Rot. Bonds9

About N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide

N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide (PubChem CID 170022142) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide
PubChem CID170022142
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC NameN-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide
SMILESCCOc1ccccc1Oc1cccc(-c2cncc(NC(=O)Cc3ccc(CC)cc3)n2)c1
InChIInChI=1S/C28H27N3O3/c1-3-20-12-14-21(15-13-20)16-28(32)31-27-19-29-18-24(30-27)22-8-7-9-23(17-22)34-26-11-6-5-10-25(26)33-4-2/h5-15,17-19H,3-4,16H2,1-2H3,(H,30,31,32)
InChIKeyLZMGJJSOKSBGOW-UHFFFAOYSA-N
XLogP6.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide
CID 170022045
2-[4-[3-[[6-[3-[(3-ethoxy-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]amino]-3-oxopropyl]phenoxy]-2-methylpropanoic acid
CID 162747277
N-[6-[6-(2-ethoxyphenoxy)-2-pyridinyl]pyrazin-2-yl]-3-phenylpropanamide
CID 162747313
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide
CID 21262993
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
4-[4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]phenoxy]butanoic acid
CID 156541437
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-(4-phenylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 167973654
4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]benzoic acid
CID 156541501

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide (CID 170022142) is N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide is CCOc1ccccc1Oc1cccc(-c2cncc(NC(=O)Cc3ccc(CC)cc3)n2)c1.
What is the InChIKey of N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide?
The InChIKey is LZMGJJSOKSBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-3-20-12-14-21(15-13-20)16-28(32)31-27-19-29-18-24(30-27)22-8-7-9-23(17-22)34-26-11-6-5-10-25(26)33-4-2/h5-15,17-19H,3-4,16H2,1-2H3,(H,30,31,32).
What are the key properties of N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide?
N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide has a molecular weight of 453.54 g/mol, XLogP of 6.08, 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]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 170022142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).