[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate

C21H22N4O4 — CID 1150140

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
SMILESCCc1ccc(-c2nnn(CCC(=O)OCC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H22N4O4/c1-3-15-4-6-17(7-5-15)21-22-24-25(23-21)13-12-20(27)29-14-19(26)16-8-10-18(28-2)11-9-16/h4-11H,3,12-14H2,1-2H3
InChIKeyAESUYVICPPBYIZ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.73
Rot. Bonds9

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate (PubChem CID 1150140) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
PubChem CID1150140
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
SMILESCCc1ccc(-c2nnn(CCC(=O)OCC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H22N4O4/c1-3-15-4-6-17(7-5-15)21-22-24-25(23-21)13-12-20(27)29-14-19(26)16-8-10-18(28-2)11-9-16/h4-11H,3,12-14H2,1-2H3
InChIKeyAESUYVICPPBYIZ-UHFFFAOYSA-N
XLogP2.73
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
CID 1150139
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate
CID 1150142
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(5-thiophen-2-yltetrazol-2-yl)propanoate
CID 653826
[2-(4-ethylphenyl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807248
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
ethyl 3-[5-(4-formylphenyl)tetrazol-2-yl]propanoate
CID 23559158
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 42016405

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate (CID 1150140) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate is CCc1ccc(-c2nnn(CCC(=O)OCC(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate?
The InChIKey is AESUYVICPPBYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-15-4-6-17(7-5-15)21-22-24-25(23-21)13-12-20(27)29-14-19(26)16-8-10-18(28-2)11-9-16/h4-11H,3,12-14H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate has a molecular weight of 394.43 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate is sourced from PubChem (CID 1150140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).