ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide

C23H27N3O — CID 143000025

IUPACethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
SMILESCC.CCc1nc(-c2ccccc2)cnc1NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C21H21N3O.C2H6/c1-3-18-21(22-14-19(23-18)17-7-5-4-6-8-17)24-20(25)13-16-11-9-15(2)10-12-16;1-2/h4-12,14H,3,13H2,1-2H3,(H,22,24,25);1-2H3
InChIKeyRKELEIJAVUKXOM-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.22
Rot. Bonds5

About ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide

ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 143000025) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID143000025
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Nameethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
SMILESCC.CCc1nc(-c2ccccc2)cnc1NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C21H21N3O.C2H6/c1-3-18-21(22-14-19(23-18)17-7-5-4-6-8-17)24-20(25)13-16-11-9-15(2)10-12-16;1-2/h4-12,14H,3,13H2,1-2H3,(H,22,24,25);1-2H3
InChIKeyRKELEIJAVUKXOM-UHFFFAOYSA-N
XLogP5.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide (CID 143000025) is ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide is CC.CCc1nc(-c2ccccc2)cnc1NC(=O)Cc1ccc(C)cc1.
What is the InChIKey of ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is RKELEIJAVUKXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O.C2H6/c1-3-18-21(22-14-19(23-18)17-7-5-4-6-8-17)24-20(25)13-16-11-9-15(2)10-12-16;1-2/h4-12,14H,3,13H2,1-2H3,(H,22,24,25);1-2H3.
What are the key properties of ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide?
ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 143000025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).