N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide

C31H33N3O3 — CID 46853673

IUPACN-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)Nc2ncc(-c3ccc(OC(C)C)cc3)nc2Cc2ccccc2)cc1
InChIInChI=1S/C31H33N3O3/c1-21(2)36-26-14-10-24(11-15-26)19-30(35)34-31-28(18-23-8-6-5-7-9-23)33-29(20-32-31)25-12-16-27(17-13-25)37-22(3)4/h5-17,20-22H,18-19H2,1-4H3,(H,32,34,35)
InChIKeyJTRIQOZZBKRNDQ-UHFFFAOYSA-N
MW495.62 g/mol
LogP6.49
Rot. Bonds10

About N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide

N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 46853673) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
PubChem CID46853673
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC NameN-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)Nc2ncc(-c3ccc(OC(C)C)cc3)nc2Cc2ccccc2)cc1
InChIInChI=1S/C31H33N3O3/c1-21(2)36-26-14-10-24(11-15-26)19-30(35)34-31-28(18-23-8-6-5-7-9-23)33-29(20-32-31)25-12-16-27(17-13-25)37-22(3)4/h5-17,20-22H,18-19H2,1-4H3,(H,32,34,35)
InChIKeyJTRIQOZZBKRNDQ-UHFFFAOYSA-N
XLogP6.49
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide (CID 46853673) is N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(CC(=O)Nc2ncc(-c3ccc(OC(C)C)cc3)nc2Cc2ccccc2)cc1.
What is the InChIKey of N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is JTRIQOZZBKRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-21(2)36-26-14-10-24(11-15-26)19-30(35)34-31-28(18-23-8-6-5-7-9-23)33-29(20-32-31)25-12-16-27(17-13-25)37-22(3)4/h5-17,20-22H,18-19H2,1-4H3,(H,32,34,35).
What are the key properties of N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 495.62 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 46853673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).