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

C22H24N4O4 — CID 1150142

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCn2nnc(-c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-15(2)16-4-6-18(7-5-16)22-23-25-26(24-22)13-12-21(28)30-14-20(27)17-8-10-19(29-3)11-9-17/h4-11,15H,12-14H2,1-3H3
InChIKeyBWLSGQQUIIWEKL-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.29
Rot. Bonds9

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

[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate (PubChem CID 1150142) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate
PubChem CID1150142
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCn2nnc(-c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-15(2)16-4-6-18(7-5-16)22-23-25-26(24-22)13-12-21(28)30-14-20(27)17-8-10-19(29-3)11-9-17/h4-11,15H,12-14H2,1-3H3
InChIKeyBWLSGQQUIIWEKL-UHFFFAOYSA-N
XLogP3.29
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate 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-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
CID 1150139
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 1150140
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(5-thiophen-2-yltetrazol-2-yl)propanoate
CID 653826
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
ethyl 3-[5-(4-formylphenyl)tetrazol-2-yl]propanoate
CID 23559158
[2-(4-ethylphenyl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807248
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825649
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2421833

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate (CID 1150142) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate is COc1ccc(C(=O)COC(=O)CCn2nnc(-c3ccc(C(C)C)cc3)n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate?
The InChIKey is BWLSGQQUIIWEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15(2)16-4-6-18(7-5-16)22-23-25-26(24-22)13-12-21(28)30-14-20(27)17-8-10-19(29-3)11-9-17/h4-11,15H,12-14H2,1-3H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate has a molecular weight of 408.46 g/mol, XLogP of 3.29, 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-propan-2-ylphenyl)tetrazol-2-yl]propanoate is sourced from PubChem (CID 1150142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).