dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate

C19H17N5O5 — CID 9419629

IUPACdimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Cn2nnnc2-c2ccccc2)c1
InChIInChI=1S/C19H17N5O5/c1-28-18(26)13-8-9-14(19(27)29-2)15(10-13)20-16(25)11-24-17(21-22-23-24)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,25)
InChIKeyFJVTXEHJECGKDD-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.55
Rot. Bonds6

About dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 9419629) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
PubChem CID9419629
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Namedimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Cn2nnnc2-c2ccccc2)c1
InChIInChI=1S/C19H17N5O5/c1-28-18(26)13-8-9-14(19(27)29-2)15(10-13)20-16(25)11-24-17(21-22-23-24)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,25)
InChIKeyFJVTXEHJECGKDD-UHFFFAOYSA-N
XLogP1.55
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
dimethyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110688899
dimethyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8537509
dimethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 7819714
dimethyl 2-[[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 2652879
ethyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 9419839
dimethyl 2-(4-phenoxybutanoylamino)benzene-1,4-dicarboxylate
CID 2287584
dimethyl 2-[(2-pyridin-3-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 110697209
N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419811
dimethyl 2-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110680206
dimethyl 2-[[2-[(2S)-2-phenoxypropanoyl]oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 7833715
dimethyl 2-[[2-(1H-indazole-3-carbonyloxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 2534710

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate (CID 9419629) is dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cn2nnnc2-c2ccccc2)c1.
What is the InChIKey of dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is FJVTXEHJECGKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-28-18(26)13-8-9-14(19(27)29-2)15(10-13)20-16(25)11-24-17(21-22-23-24)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,25).
What are the key properties of dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 395.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 9419629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).