N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane

C29H37N3O2 — CID 143000636

IUPACN-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
SMILESCC.Cc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2CCC2CCCCC2)cc1
InChIInChI=1S/C27H31N3O2.C2H6/c1-19-7-9-21(10-8-19)17-26(32)30-27-24(16-11-20-5-3-2-4-6-20)29-25(18-28-27)22-12-14-23(31)15-13-22;1-2/h7-10,12-15,18,20,31H,2-6,11,16-17H2,1H3,(H,28,30,32);1-2H3
InChIKeyFLGOMTAUGSHRLR-UHFFFAOYSA-N
MW459.63 g/mol
LogP6.88
Rot. Bonds7

About N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane

N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane (PubChem CID 143000636) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane.

Molecular Properties

Compound NameN-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
PubChem CID143000636
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC NameN-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
SMILESCC.Cc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2CCC2CCCCC2)cc1
InChIInChI=1S/C27H31N3O2.C2H6/c1-19-7-9-21(10-8-19)17-26(32)30-27-24(16-11-20-5-3-2-4-6-20)29-25(18-28-27)22-12-14-23(31)15-13-22;1-2/h7-10,12-15,18,20,31H,2-6,11,16-17H2,1H3,(H,28,30,32);1-2H3
InChIKeyFLGOMTAUGSHRLR-UHFFFAOYSA-N
XLogP6.88
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143000334
2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625233
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[3-(2-cyclohexylethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3-methylbutanamide
CID 123781945
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide
CID 89009351
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
CID 136624996
N-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 137035124
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
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 143000025
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-phenylpropanamide
CID 159051784

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane?
The IUPAC name of N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane (CID 143000636) is N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane.
What is the SMILES notation for N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane?
The canonical SMILES for N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane is CC.Cc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2CCC2CCCCC2)cc1.
What is the InChIKey of N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane?
The InChIKey is FLGOMTAUGSHRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2.C2H6/c1-19-7-9-21(10-8-19)17-26(32)30-27-24(16-11-20-5-3-2-4-6-20)29-25(18-28-27)22-12-14-23(31)15-13-22;1-2/h7-10,12-15,18,20,31H,2-6,11,16-17H2,1H3,(H,28,30,32);1-2H3.
What are the key properties of N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane?
N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane has a molecular weight of 459.63 g/mol, XLogP of 6.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane is sourced from PubChem (CID 143000636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).