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

C31H39N3O3 — CID 46853672

IUPACN-[3-(cyclohexylmethyl)-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/C31H39N3O3/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/h10-17,20-23H,5-9,18-19H2,1-4H3,(H,32,34,35)
InChIKeyAVMAAGRQSQFMDF-UHFFFAOYSA-N
MW501.67 g/mol
LogP7.02
Rot. Bonds10

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

N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 46853672) has the molecular formula C31H39N3O3 and a molecular weight of 501.67 g/mol. Its IUPAC name is N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
PubChem CID46853672
Molecular FormulaC31H39N3O3
Molecular Weight501.67 g/mol
Exact Mass501.30
IUPAC NameN-[3-(cyclohexylmethyl)-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/C31H39N3O3/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/h10-17,20-23H,5-9,18-19H2,1-4H3,(H,32,34,35)
InChIKeyAVMAAGRQSQFMDF-UHFFFAOYSA-N
XLogP7.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide (CID 46853672) is N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-(cyclohexylmethyl)-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-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is AVMAAGRQSQFMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O3/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/h10-17,20-23H,5-9,18-19H2,1-4H3,(H,32,34,35).
What are the key properties of N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 501.67 g/mol, XLogP of 7.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 46853672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).