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

C29H35N3O3 — CID 59510400

IUPACN-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(-c2cnc(NC(=O)Cc3ccc(OC(C)C)cc3)c(CC3CCCCC3)n2)cc1
InChIInChI=1S/C29H35N3O3/c1-20(2)35-25-13-9-22(10-14-25)18-28(33)32-29-26(17-21-7-5-4-6-8-21)31-27(19-30-29)23-11-15-24(34-3)16-12-23/h9-16,19-21H,4-8,17-18H2,1-3H3,(H,30,32,33)
InChIKeyGJMTUXHBZIJLEJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.24
Rot. Bonds9

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

N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 59510400) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
PubChem CID59510400
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(-c2cnc(NC(=O)Cc3ccc(OC(C)C)cc3)c(CC3CCCCC3)n2)cc1
InChIInChI=1S/C29H35N3O3/c1-20(2)35-25-13-9-22(10-14-25)18-28(33)32-29-26(17-21-7-5-4-6-8-21)31-27(19-30-29)23-11-15-24(34-3)16-12-23/h9-16,19-21H,4-8,17-18H2,1-3H3,(H,30,32,33)
InChIKeyGJMTUXHBZIJLEJ-UHFFFAOYSA-N
XLogP6.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 59510395
2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
CID 123392811
N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[3-(cyclopentylmethyl)-5-[4-(1-hydroxyethyl)phenyl]pyrazin-2-yl]-2-[4-(oxiran-2-yl)phenyl]acetamide
CID 88905243
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
CID 136624996
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
1-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-3-(4-propan-2-yloxyphenyl)propan-2-one
CID 58567171
3-cyclohepta-1,3,5-trien-1-yl-N-[3-(cyclopentylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]propanamide
CID 143001092
N-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 137035124
2-cyclohexyl-N-[5-(4-methoxyphenyl)-3-methylpyrazin-2-yl]acetamide
CID 143000085
N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123893590

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide (CID 59510400) is N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide is COc1ccc(-c2cnc(NC(=O)Cc3ccc(OC(C)C)cc3)c(CC3CCCCC3)n2)cc1.
What is the InChIKey of N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is GJMTUXHBZIJLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-20(2)35-25-13-9-22(10-14-25)18-28(33)32-29-26(17-21-7-5-4-6-8-21)31-27(19-30-29)23-11-15-24(34-3)16-12-23/h9-16,19-21H,4-8,17-18H2,1-3H3,(H,30,32,33).
What are the key properties of N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 473.62 g/mol, XLogP of 6.24, 9 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-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 59510400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).