2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine

C28H42N2O2 — CID 22248968

IUPAC2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine
SMILESCCc1cc(OC2CCCC2)ccc1-c1nc(CC)c(OC(C(C)C)C(C)C)nc1CC
InChIInChI=1S/C28H42N2O2/c1-8-20-17-22(31-21-13-11-12-14-21)15-16-23(20)26-24(9-2)30-28(25(10-3)29-26)32-27(18(4)5)19(6)7/h15-19,21,27H,8-14H2,1-7H3
InChIKeyXQKFRWQCYMSQHM-UHFFFAOYSA-N
MW438.66 g/mol
LogP7.21
Rot. Bonds10

About 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine

2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine (PubChem CID 22248968) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine.

Molecular Properties

Compound Name2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine
PubChem CID22248968
Molecular FormulaC28H42N2O2
Molecular Weight438.66 g/mol
Exact Mass438.32
IUPAC Name2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine
SMILESCCc1cc(OC2CCCC2)ccc1-c1nc(CC)c(OC(C(C)C)C(C)C)nc1CC
InChIInChI=1S/C28H42N2O2/c1-8-20-17-22(31-21-13-11-12-14-21)15-16-23(20)26-24(9-2)30-28(25(10-3)29-26)32-27(18(4)5)19(6)7/h15-19,21,27H,8-14H2,1-7H3
InChIKeyXQKFRWQCYMSQHM-UHFFFAOYSA-N
XLogP7.21
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine?
The IUPAC name of 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine (CID 22248968) is 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine.
What is the SMILES notation for 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine?
The canonical SMILES for 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine is CCc1cc(OC2CCCC2)ccc1-c1nc(CC)c(OC(C(C)C)C(C)C)nc1CC.
What is the InChIKey of 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine?
The InChIKey is XQKFRWQCYMSQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O2/c1-8-20-17-22(31-21-13-11-12-14-21)15-16-23(20)26-24(9-2)30-28(25(10-3)29-26)32-27(18(4)5)19(6)7/h15-19,21,27H,8-14H2,1-7H3.
What are the key properties of 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine?
2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine has a molecular weight of 438.66 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxy-2-ethylphenyl)-5-(2,4-dimethylpentan-3-yloxy)-3,6-diethylpyrazine is sourced from PubChem (CID 22248968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).