methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate

C19H20N6O3 — CID 166493176

IUPACmethyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate
SMILESCCNC(=O)c1ccc(NCn2nnc(-c3ccc(C(=O)OC)cc3)n2)cc1
InChIInChI=1S/C19H20N6O3/c1-3-20-18(26)14-8-10-16(11-9-14)21-12-25-23-17(22-24-25)13-4-6-15(7-5-13)19(27)28-2/h4-11,21H,3,12H2,1-2H3,(H,20,26)
InChIKeyGUAPJSSTRJMSIW-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.95
Rot. Bonds7

About methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate

methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate (PubChem CID 166493176) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate
PubChem CID166493176
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Namemethyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate
SMILESCCNC(=O)c1ccc(NCn2nnc(-c3ccc(C(=O)OC)cc3)n2)cc1
InChIInChI=1S/C19H20N6O3/c1-3-20-18(26)14-8-10-16(11-9-14)21-12-25-23-17(22-24-25)13-4-6-15(7-5-13)19(27)28-2/h4-11,21H,3,12H2,1-2H3,(H,20,26)
InChIKeyGUAPJSSTRJMSIW-UHFFFAOYSA-N
XLogP1.95
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate?
The IUPAC name of methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate (CID 166493176) is methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate.
What is the SMILES notation for methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate?
The canonical SMILES for methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate is CCNC(=O)c1ccc(NCn2nnc(-c3ccc(C(=O)OC)cc3)n2)cc1.
What is the InChIKey of methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate?
The InChIKey is GUAPJSSTRJMSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-3-20-18(26)14-8-10-16(11-9-14)21-12-25-23-17(22-24-25)13-4-6-15(7-5-13)19(27)28-2/h4-11,21H,3,12H2,1-2H3,(H,20,26).
What are the key properties of methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate?
methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate has a molecular weight of 380.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[4-(ethylcarbamoyl)anilino]methyl]tetrazol-5-yl]benzoate is sourced from PubChem (CID 166493176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).