6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide

C14H15N5O5 — CID 139660274

IUPAC6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(OC(C)OC)c(C(=O)Nc3nn[nH]n3)oc2c1
InChIInChI=1S/C14H15N5O5/c1-7(21-2)23-11-9-5-4-8(22-3)6-10(9)24-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyANMGMCZEQRAUTC-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.58
Rot. Bonds6

About 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide

6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 139660274) has the molecular formula C14H15N5O5 and a molecular weight of 333.30 g/mol. Its IUPAC name is 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID139660274
Molecular FormulaC14H15N5O5
Molecular Weight333.30 g/mol
Exact Mass333.11
IUPAC Name6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(OC(C)OC)c(C(=O)Nc3nn[nH]n3)oc2c1
InChIInChI=1S/C14H15N5O5/c1-7(21-2)23-11-9-5-4-8(22-3)6-10(9)24-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyANMGMCZEQRAUTC-UHFFFAOYSA-N
XLogP1.58
TPSA124.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide (CID 139660274) is 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide is COc1ccc2c(OC(C)OC)c(C(=O)Nc3nn[nH]n3)oc2c1.
What is the InChIKey of 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ANMGMCZEQRAUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O5/c1-7(21-2)23-11-9-5-4-8(22-3)6-10(9)24-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20).
What are the key properties of 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 139660274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).