[2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate

C19H20N2O3 — CID 1072460

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H20N2O3/c22-18(13-24-19(23)17-12-20-10-11-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2
InChIKeyWNNSLBOJKFBMFY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.56
Rot. Bonds5

About [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate

[2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 1072460) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID1072460
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H20N2O3/c22-18(13-24-19(23)17-12-20-10-11-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2
InChIKeyWNNSLBOJKFBMFY-UHFFFAOYSA-N
XLogP3.56
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate 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

2-(2,4-Dichlorophenyl)-2-oxoethyl 2-pyrazinecarboxylate
CID 2169348
[2-(4-Fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950188
(1-Oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate
CID 24687258
2-(Naphthalen-1-yl)-2-oxoethyl 5-methylpyrazine-2-carboxylate
CID 24687449
2-{4-[(4-Methylbenzoyl)oxy]phenyl}-2-oxoethyl 2-pyrazinecarboxylate
CID 3832481
2-(3,4-Dimethylphenyl)-2-oxoethyl pyrazine-2-carboxylate
CID 761855
2-Oxo-2-phenylethyl 2-pyrazinecarboxylate
CID 647387
2-Oxo-2-(5,6,7,8-tetrahydro-2-naphthalenyl)ethyl 2-pyrazinecarboxylate
CID 653324
[2-(4-Benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate
CID 1332468
[2-Oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate
CID 686192
2-(4-Chlorophenyl)-2-oxoethyl pyrazine-2-carboxylate
CID 882374
[2-(4-Ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2430350

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate (CID 1072460) is [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is WNNSLBOJKFBMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(13-24-19(23)17-12-20-10-11-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2.
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 1072460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).