ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide

C32H29N5O2 — CID 153397397

About ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide

ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide (PubChem CID 153397397) has the molecular formula C32H29N5O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide.

Molecular Properties

• Compound Name: ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide
• PubChem CID: 153397397
• Molecular Formula: C32H29N5O2
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.23
• IUPAC Name: ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide
• SMILES: C=C.Cc1ccc(CC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)cc3c2OCC3c2ccccc2)cc1
• InChI: InChI=1S/C30H25N5O2.C2H4/c1-19-11-13-20(14-12-19)15-28(36)31-27-17-22(23-9-5-6-10-24(23)30-32-34-35-33-30)16-25-26(18-37-29(25)27)21-7-3-2-4-8-21;1-2/h2-14,16-17,26H,15,18H2,1H3,(H,31,36)(H,32,33,34,35);1-2H2
• InChIKey: BFPGPLJZMMTYPL-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide?

The IUPAC name of ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide (CID 153397397) is ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide.

What is the SMILES notation for ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide?

The canonical SMILES for ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide is C=C.Cc1ccc(CC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)cc3c2OCC3c2ccccc2)cc1.

What is the InChIKey of ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide?

The InChIKey is BFPGPLJZMMTYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2.C2H4/c1-19-11-13-20(14-12-19)15-28(36)31-27-17-22(23-9-5-6-10-24(23)30-32-34-35-33-30)16-25-26(18-37-29(25)27)21-7-3-2-4-8-21;1-2/h2-14,16-17,26H,15,18H2,1H3,(H,31,36)(H,32,33,34,35);1-2H2.

What are the key properties of ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide?

ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide has a molecular weight of 515.62 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;2-(4-methylphenyl)-N-[3-phenyl-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]acetamide is sourced from PubChem (CID 153397397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).