methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate

C24H26N2O4 — CID 175639771

IUPACmethyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCc2cncc(CCc3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C24H26N2O4/c1-28-22-12-18(13-23(14-22)29-2)7-11-21-16-25-15-20(26-21)10-6-17-4-8-19(9-5-17)24(27)30-3/h4-5,8-9,12-16H,6-7,10-11H2,1-3H3
InChIKeyWVUPHFYVFAEAPB-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.85
Rot. Bonds9

About methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate

methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate (PubChem CID 175639771) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate
PubChem CID175639771
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Namemethyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCc2cncc(CCc3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C24H26N2O4/c1-28-22-12-18(13-23(14-22)29-2)7-11-21-16-25-15-20(26-21)10-6-17-4-8-19(9-5-17)24(27)30-3/h4-5,8-9,12-16H,6-7,10-11H2,1-3H3
InChIKeyWVUPHFYVFAEAPB-UHFFFAOYSA-N
XLogP3.85
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate with MolForge

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Related Compounds

methyl 4-[2-[3-[2-(3,5-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869617
methyl 4-[2-[3-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869618
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione
CID 172869342
4-[2-[6-[2-(3,5-dihydroxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoic acid
CID 175639773
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[2-[6-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]benzoate
CID 170457379
1-(3,5-dimethoxyphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenyl]ethane-1,2-dione
CID 172869778
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate (CID 175639771) is methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate is COC(=O)c1ccc(CCc2cncc(CCc3cc(OC)cc(OC)c3)n2)cc1.
What is the InChIKey of methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate?
The InChIKey is WVUPHFYVFAEAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-22-12-18(13-23(14-22)29-2)7-11-21-16-25-15-20(26-21)10-6-17-4-8-19(9-5-17)24(27)30-3/h4-5,8-9,12-16H,6-7,10-11H2,1-3H3.
What are the key properties of methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate?
methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate has a molecular weight of 406.48 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate is sourced from PubChem (CID 175639771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).