2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine

C28H42N2O — CID 19859608

IUPAC2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine
SMILESCCCCCCCCCc1cnc(-c2ccc(OCC3CCC(CC)CC3)cc2)cn1
InChIInChI=1S/C28H42N2O/c1-3-5-6-7-8-9-10-11-26-20-30-28(21-29-26)25-16-18-27(19-17-25)31-22-24-14-12-23(4-2)13-15-24/h16-21,23-24H,3-15,22H2,1-2H3
InChIKeyQCXYIDZJEVEVBQ-UHFFFAOYSA-N
MW422.66 g/mol
LogP8.03
Rot. Bonds13

About 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine

2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine (PubChem CID 19859608) has the molecular formula C28H42N2O and a molecular weight of 422.66 g/mol. Its IUPAC name is 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine.

Molecular Properties

Compound Name2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine
PubChem CID19859608
Molecular FormulaC28H42N2O
Molecular Weight422.66 g/mol
Exact Mass422.33
IUPAC Name2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine
SMILESCCCCCCCCCc1cnc(-c2ccc(OCC3CCC(CC)CC3)cc2)cn1
InChIInChI=1S/C28H42N2O/c1-3-5-6-7-8-9-10-11-26-20-30-28(21-29-26)25-16-18-27(19-17-25)31-22-24-14-12-23(4-2)13-15-24/h16-21,23-24H,3-15,22H2,1-2H3
InChIKeyQCXYIDZJEVEVBQ-UHFFFAOYSA-N
XLogP8.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine 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-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrimidine
CID 19839923
2-hexyl-5-[4-[[[4-(5-hexylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine
CID 70426420
3-[2-(4-ethylcyclohexyl)ethyl]-6-(4-heptoxyphenyl)pyridazine
CID 139778846
1-[3-(4-ethylcyclohexyl)propoxy]-4-[(4-hexylcyclohexyl)methoxy]benzene
CID 19738873
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-propylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-propylpyrazine
CID 70426312
4-(5-octylpyrazin-2-yl)benzoic acid
CID 57270036
[4-(5-tetradecylpyrazin-2-yl)phenyl] 4-pentylbenzoate
CID 139631207
2-(4-butoxy-3-fluorophenyl)-5-undecylpyrazine
CID 139625410
2-[4-[(4-decylphenoxy)methyl]cyclohexyl]-5-heptylpyrimidine
CID 21288626
5-decyl-2-[4-[(4-pentylphenoxy)methyl]cyclohexyl]pyrimidine
CID 21288797
5-dodecyl-2-[4-[(4-hexylphenoxy)methyl]cyclohexyl]pyrimidine
CID 70402731

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine?
The IUPAC name of 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine (CID 19859608) is 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine.
What is the SMILES notation for 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine?
The canonical SMILES for 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine is CCCCCCCCCc1cnc(-c2ccc(OCC3CCC(CC)CC3)cc2)cn1.
What is the InChIKey of 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine?
The InChIKey is QCXYIDZJEVEVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O/c1-3-5-6-7-8-9-10-11-26-20-30-28(21-29-26)25-16-18-27(19-17-25)31-22-24-14-12-23(4-2)13-15-24/h16-21,23-24H,3-15,22H2,1-2H3.
What are the key properties of 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine?
2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine has a molecular weight of 422.66 g/mol, XLogP of 8.03, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrazine is sourced from PubChem (CID 19859608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).